4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine

C16H34N2 — CID 62412201

IUPAC4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine
SMILESCCCNCCCC(C)N(C)CC1CCCCC1
InChIInChI=1S/C16H34N2/c1-4-12-17-13-8-9-15(2)18(3)14-16-10-6-5-7-11-16/h15-17H,4-14H2,1-3H3
InChIKeyKGHNAQWRBDHALH-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds9

About 4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine

4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine (PubChem CID 62412201) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine
PubChem CID62412201
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine
SMILESCCCNCCCC(C)N(C)CC1CCCCC1
InChIInChI=1S/C16H34N2/c1-4-12-17-13-8-9-15(2)18(3)14-16-10-6-5-7-11-16/h15-17H,4-14H2,1-3H3
InChIKeyKGHNAQWRBDHALH-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine
CID 55225870
1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568386
4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62856942
2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63502062
2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62854576
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpentane-1,4-diamine
CID 79313502
3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine
CID 79408443
N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 63657735
4-[cyclohexylmethyl(methyl)amino]pentanehydrazide
CID 63577696
N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002
N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62557751
2-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 115772276

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine?
The IUPAC name of 4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine (CID 62412201) is 4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine?
The canonical SMILES for 4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine is CCCNCCCC(C)N(C)CC1CCCCC1.
What is the InChIKey of 4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine?
The InChIKey is KGHNAQWRBDHALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-12-17-13-8-9-15(2)18(3)14-16-10-6-5-7-11-16/h15-17H,4-14H2,1-3H3.
What are the key properties of 4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine?
4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine is sourced from PubChem (CID 62412201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).