N,N'-bis[[4-(2,2-dimethylpropyl)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidin-4-yl]methyl]piperidine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidin-3-yl]methyl]pyrrolidine

C96H148N6 — CID 163736251

IUPACN,N'-bis[[4-(2,2-dimethylpropyl)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidin-4-yl]methyl]piperidine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidin-3-yl]methyl]pyrrolidine
SMILESCC(C)(C)Cc1ccc(CN2CCC(CC3CCN(Cc4ccc(CC(C)(C)C)cc4)C3)C2)cc1.CC(C)(C)Cc1ccc(CN2CCC(CC3CCN(Cc4ccc(CC(C)(C)C)cc4)CC3)CC2)cc1.CN(CCN(C)Cc1ccc(CC(C)(C)C)cc1)Cc1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C35H54N2.C33H50N2.C28H44N2/c1-34(2,3)24-30-7-11-32(12-8-30)26-36-19-15-28(16-20-36)23-29-17-21-37(22-18-29)27-33-13-9-31(10-14-33)25-35(4,5)6;1-32(2,3)20-26-7-11-28(12-8-26)22-34-17-15-30(24-34)19-31-16-18-35(25-31)23-29-13-9-27(10-14-29)21-33(4,5)6;1-27(2,3)19-23-9-13-25(14-10-23)21-29(7)17-18-30(8)22-26-15-11-24(12-16-26)20-28(4,5)6/h7-14,28-29H,15-27H2,1-6H3;7-14,30-31H,15-25H2,1-6H3;9-16H,17-22H2,1-8H3
InChIKeyLDVYMDCQTNRCCS-UHFFFAOYSA-N
MW1386.28 g/mol
LogP22.40
Rot. Bonds25

About N,N'-bis[[4-(2,2-dimethylpropyl)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidin-4-yl]methyl]piperidine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidin-3-yl]methyl]pyrrolidine

N,N'-bis[[4-(2,2-dimethylpropyl)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidin-4-yl]methyl]piperidine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidin-3-yl]methyl]pyrrolidine (PubChem CID 163736251) has the molecular formula C96H148N6 and a molecular weight of 1386.28 g/mol. Its IUPAC name is N,N'-bis[[4-(2,2-dimethylpropyl)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidin-4-yl]methyl]piperidine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidin-3-yl]methyl]pyrrolidine.

Molecular Properties

Compound NameN,N'-bis[[4-(2,2-dimethylpropyl)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidin-4-yl]methyl]piperidine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidin-3-yl]methyl]pyrrolidine
PubChem CID163736251
Molecular FormulaC96H148N6
Molecular Weight1386.28 g/mol
Exact Mass1385.18
IUPAC NameN,N'-bis[[4-(2,2-dimethylpropyl)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidin-4-yl]methyl]piperidine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidin-3-yl]methyl]pyrrolidine
SMILESCC(C)(C)Cc1ccc(CN2CCC(CC3CCN(Cc4ccc(CC(C)(C)C)cc4)C3)C2)cc1.CC(C)(C)Cc1ccc(CN2CCC(CC3CCN(Cc4ccc(CC(C)(C)C)cc4)CC3)CC2)cc1.CN(CCN(C)Cc1ccc(CC(C)(C)C)cc1)Cc1ccc(CC(C)(C)C)cc1
InChIInChI=1S/C35H54N2.C33H50N2.C28H44N2/c1-34(2,3)24-30-7-11-32(12-8-30)26-36-19-15-28(16-20-36)23-29-17-21-37(22-18-29)27-33-13-9-31(10-14-33)25-35(4,5)6;1-32(2,3)20-26-7-11-28(12-8-26)22-34-17-15-30(24-34)19-31-16-18-35(25-31)23-29-13-9-27(10-14-29)21-33(4,5)6;1-27(2,3)19-23-9-13-25(14-10-23)21-29(7)17-18-30(8)22-26-15-11-24(12-16-26)20-28(4,5)6/h7-14,28-29H,15-27H2,1-6H3;7-14,30-31H,15-25H2,1-6H3;9-16H,17-22H2,1-8H3
InChIKeyLDVYMDCQTNRCCS-UHFFFAOYSA-N
XLogP22.40
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001386.28
LogP ≤ 522.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N'-bis[[4-(2,2-dimethylpropyl)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidin-4-yl]methyl]piperidine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidin-3-yl]methyl]pyrrolidine with MolForge

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Related Compounds

1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77453260
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
CID 117368978
4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoic acid
CID 90269710
(3R)-1-benzyl-3-fluoropyrrolidine;N-benzyl-N-methyl-1-phenylmethanamine;tert-butyl formate
CID 155724928
3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine
CID 144719735
N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512740
[4-[[4-[3-(dimethylamino)propyl]piperidin-1-yl]methyl]phenyl]methanol
CID 110009724
1-(1-ethylpyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylmethanamine
CID 166673507
3-(bromomethyl)-1-[(4-ethylphenyl)methyl]pyrrolidine
CID 80689924
4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
CID 70755812
1-(4,4-dimethylpentyl)-4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine
CID 155706081

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[[4-(2,2-dimethylpropyl)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidin-4-yl]methyl]piperidine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidin-3-yl]methyl]pyrrolidine?
The IUPAC name of N,N'-bis[[4-(2,2-dimethylpropyl)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidin-4-yl]methyl]piperidine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidin-3-yl]methyl]pyrrolidine (CID 163736251) is N,N'-bis[[4-(2,2-dimethylpropyl)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidin-4-yl]methyl]piperidine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidin-3-yl]methyl]pyrrolidine.
What is the SMILES notation for N,N'-bis[[4-(2,2-dimethylpropyl)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidin-4-yl]methyl]piperidine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidin-3-yl]methyl]pyrrolidine?
The canonical SMILES for N,N'-bis[[4-(2,2-dimethylpropyl)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidin-4-yl]methyl]piperidine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidin-3-yl]methyl]pyrrolidine is CC(C)(C)Cc1ccc(CN2CCC(CC3CCN(Cc4ccc(CC(C)(C)C)cc4)C3)C2)cc1.CC(C)(C)Cc1ccc(CN2CCC(CC3CCN(Cc4ccc(CC(C)(C)C)cc4)CC3)CC2)cc1.CN(CCN(C)Cc1ccc(CC(C)(C)C)cc1)Cc1ccc(CC(C)(C)C)cc1.
What is the InChIKey of N,N'-bis[[4-(2,2-dimethylpropyl)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidin-4-yl]methyl]piperidine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidin-3-yl]methyl]pyrrolidine?
The InChIKey is LDVYMDCQTNRCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H54N2.C33H50N2.C28H44N2/c1-34(2,3)24-30-7-11-32(12-8-30)26-36-19-15-28(16-20-36)23-29-17-21-37(22-18-29)27-33-13-9-31(10-14-33)25-35(4,5)6;1-32(2,3)20-26-7-11-28(12-8-26)22-34-17-15-30(24-34)19-31-16-18-35(25-31)23-29-13-9-27(10-14-29)21-33(4,5)6;1-27(2,3)19-23-9-13-25(14-10-23)21-29(7)17-18-30(8)22-26-15-11-24(12-16-26)20-28(4,5)6/h7-14,28-29H,15-27H2,1-6H3;7-14,30-31H,15-25H2,1-6H3;9-16H,17-22H2,1-8H3.
What are the key properties of N,N'-bis[[4-(2,2-dimethylpropyl)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidin-4-yl]methyl]piperidine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidin-3-yl]methyl]pyrrolidine?
N,N'-bis[[4-(2,2-dimethylpropyl)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidin-4-yl]methyl]piperidine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidin-3-yl]methyl]pyrrolidine has a molecular weight of 1386.28 g/mol, XLogP of 22.40, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[[4-(2,2-dimethylpropyl)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-4-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidin-4-yl]methyl]piperidine;1-[[4-(2,2-dimethylpropyl)phenyl]methyl]-3-[[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]pyrrolidin-3-yl]methyl]pyrrolidine is sourced from PubChem (CID 163736251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).