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

C14H28N2 — CID 61447834

IUPACN'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCC1CC1)CC1CCCCC1
InChIInChI=1S/C14H28N2/c1-16(10-9-15-11-13-7-8-13)12-14-5-3-2-4-6-14/h13-15H,2-12H2,1H3
InChIKeyKTFJADFTAHKNNF-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.50
Rot. Bonds7

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

N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 61447834) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
PubChem CID61447834
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCC1CC1)CC1CCCCC1
InChIInChI=1S/C14H28N2/c1-16(10-9-15-11-13-7-8-13)12-14-5-3-2-4-6-14/h13-15H,2-12H2,1H3
InChIKeyKTFJADFTAHKNNF-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002
N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62557751
N'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 63655720
N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 114207737
N-(cyclopentylmethyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 62561686
N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 55089985
N'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine
CID 55248488
N-(cyclohexylmethyl)-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79858955
N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 61387224
N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62856420
N-(2-butoxyethyl)-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55248291
N-benzyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62558621

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine (CID 61447834) is N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine is CN(CCNCC1CC1)CC1CCCCC1.
What is the InChIKey of N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is KTFJADFTAHKNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-16(10-9-15-11-13-7-8-13)12-14-5-3-2-4-6-14/h13-15H,2-12H2,1H3.
What are the key properties of N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine?
N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 61447834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).