1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine

C18H32N2O — CID 43792387

IUPAC1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-14(2)11-17(13-20(5)6)19-12-16-7-9-18(10-8-16)21-15(3)4/h7-10,14-15,17,19H,11-13H2,1-6H3
InChIKeyLJEAUFITPCSQDU-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.54
Rot. Bonds9

About 1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine

1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine (PubChem CID 43792387) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine
PubChem CID43792387
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-14(2)11-17(13-20(5)6)19-12-16-7-9-18(10-8-16)21-15(3)4/h7-10,14-15,17,19H,11-13H2,1-6H3
InChIKeyLJEAUFITPCSQDU-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine with MolForge

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Related Compounds

Safinamide
CID 131682
1-(3-(4-(1-Piperidinylmethyl)phenoxy)propyl)piperidine
CID 2766326
Priralfinamide
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[2-(4-Isopropyl-2,2-dimethyl-tetrahydro-pyran-4-yl)-ethyl]-(4-methoxy-benzyl)-amine
CID 3333309
1-(4-Butoxyphenyl)ethanamine
CID 56263
1-(4-methoxyphenyl)-N-methylmethanamine
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(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CID 5487407
(S)-2-((4-(Benzyloxy)benzyl)amino)propanamide
CID 10517190
1-(2-(2-Ethoxyphenyl)-1-phenylethyl)piperazine
CID 11289879
1-(1-Phenyl-2-(2-propoxyphenyl)ethyl)piperazine
CID 44414723
Dimethyl-[4-(3-piperidin-1-yl-propoxy)-benzyl]-amine
CID 9835304

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine (CID 43792387) is 1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine is CC(C)CC(CN(C)C)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine?
The InChIKey is LJEAUFITPCSQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-14(2)11-17(13-20(5)6)19-12-16-7-9-18(10-8-16)21-15(3)4/h7-10,14-15,17,19H,11-13H2,1-6H3.
What are the key properties of 1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine?
1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 43792387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).