N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine

C15H30N2 — CID 62412368

IUPACN'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine
SMILESCN(CCCCNC1CC1)CC1CCCCC1
InChIInChI=1S/C15H30N2/c1-17(13-14-7-3-2-4-8-14)12-6-5-11-16-15-9-10-15/h14-16H,2-13H2,1H3
InChIKeyOXIOWVDXQWZBBK-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds8

About N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine

N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine (PubChem CID 62412368) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine
PubChem CID62412368
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine
SMILESCN(CCCCNC1CC1)CC1CCCCC1
InChIInChI=1S/C15H30N2/c1-17(13-14-7-3-2-4-8-14)12-6-5-11-16-15-9-10-15/h14-16H,2-13H2,1H3
InChIKeyOXIOWVDXQWZBBK-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
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

N'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63501893
N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine
CID 63655712
N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62412553
N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 63657735
N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine
CID 62420379
N-cyclohexyl-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63707526
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine
CID 63656557
N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine
CID 62574766
N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
CID 112665474
4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 115213754
N-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine
CID 115207045

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine (CID 62412368) is N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine is CN(CCCCNC1CC1)CC1CCCCC1.
What is the InChIKey of N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine?
The InChIKey is OXIOWVDXQWZBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-17(13-14-7-3-2-4-8-14)12-6-5-11-16-15-9-10-15/h14-16H,2-13H2,1H3.
What are the key properties of N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine?
N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 62412368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).