N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine

C27H51N3 — CID 141138330

IUPACN-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1cc(CN(CCC)CCC)cc(CN(CCC)CCC)c1
InChIInChI=1S/C27H51N3/c1-7-13-28(14-8-2)22-25-19-26(23-29(15-9-3)16-10-4)21-27(20-25)24-30(17-11-5)18-12-6/h19-21H,7-18,22-24H2,1-6H3
InChIKeyHDNNTQLKYCQZGA-UHFFFAOYSA-N
MW417.73 g/mol
LogP6.55
Rot. Bonds18

About N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine

N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine (PubChem CID 141138330) has the molecular formula C27H51N3 and a molecular weight of 417.73 g/mol. Its IUPAC name is N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
PubChem CID141138330
Molecular FormulaC27H51N3
Molecular Weight417.73 g/mol
Exact Mass417.41
IUPAC NameN-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1cc(CN(CCC)CCC)cc(CN(CCC)CCC)c1
InChIInChI=1S/C27H51N3/c1-7-13-28(14-8-2)22-25-19-26(23-29(15-9-3)16-10-4)21-27(20-25)24-30(17-11-5)18-12-6/h19-21H,7-18,22-24H2,1-6H3
InChIKeyHDNNTQLKYCQZGA-UHFFFAOYSA-N
XLogP6.55
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.73
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 45259533
N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine
CID 78821646
N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine
CID 60684600
N,N-dibenzylpropan-1-amine
CID 10840212
N-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine
CID 55070121
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N-[(3,5-diethylphenyl)methyl]-N-ethylbutan-1-amine
CID 157340132
4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline
CID 61029995
2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol
CID 79673319
2-[(3,4-dibromophenyl)methyl-propylamino]ethanol
CID 115880013
N-benzyl-N-propylhexan-1-amine
CID 123983090
N-(2-bromoethyl)-N-[(4-chlorophenyl)methyl]propan-1-amine
CID 80680270

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine (CID 141138330) is N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1cc(CN(CCC)CCC)cc(CN(CCC)CCC)c1.
What is the InChIKey of N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine?
The InChIKey is HDNNTQLKYCQZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51N3/c1-7-13-28(14-8-2)22-25-19-26(23-29(15-9-3)16-10-4)21-27(20-25)24-30(17-11-5)18-12-6/h19-21H,7-18,22-24H2,1-6H3.
What are the key properties of N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine?
N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine has a molecular weight of 417.73 g/mol, XLogP of 6.55, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 141138330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).