N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine

C14H30N2 — CID 62557751

IUPACN-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
SMILESCCCCNCCN(C)CC1CCCCC1
InChIInChI=1S/C14H30N2/c1-3-4-10-15-11-12-16(2)13-14-8-6-5-7-9-14/h14-15H,3-13H2,1-2H3
InChIKeyRHEOTVZYPMKBPP-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds8

About N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine

N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 62557751) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
PubChem CID62557751
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
SMILESCCCCNCCN(C)CC1CCCCC1
InChIInChI=1S/C14H30N2/c1-3-4-10-15-11-12-16(2)13-14-8-6-5-7-9-14/h14-15H,3-13H2,1-2H3
InChIKeyRHEOTVZYPMKBPP-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
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'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002
N-(2-butoxyethyl)-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55248291
N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 63657735
N-butyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63708148
N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 61387224
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 61447834
N'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 63655720
N'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine
CID 55248488
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568386
N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine
CID 62555308

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine (CID 62557751) is N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine is CCCCNCCN(C)CC1CCCCC1.
What is the InChIKey of N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is RHEOTVZYPMKBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-3-4-10-15-11-12-16(2)13-14-8-6-5-7-9-14/h14-15H,3-13H2,1-2H3.
What are the key properties of N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine?
N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62557751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).