1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine

C16H27N3 — CID 104744827

IUPAC1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCNC(CN(C)Cc1ccncc1)C1CCCCC1
InChIInChI=1S/C16H27N3/c1-17-16(15-6-4-3-5-7-15)13-19(2)12-14-8-10-18-11-9-14/h8-11,15-17H,3-7,12-13H2,1-2H3
InChIKeyNHTAORKYGWURJG-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.68
Rot. Bonds6

About 1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine

1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 104744827) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID104744827
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCNC(CN(C)Cc1ccncc1)C1CCCCC1
InChIInChI=1S/C16H27N3/c1-17-16(15-6-4-3-5-7-15)13-19(2)12-14-8-10-18-11-9-14/h8-11,15-17H,3-7,12-13H2,1-2H3
InChIKeyNHTAORKYGWURJG-UHFFFAOYSA-N
XLogP2.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-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

Nicotine
CID 89594
Anabasine
CID 205586
(+-)-Dimethindene
CID 21855
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Pheniramine
CID 4761
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651
Rivanicline
CID 5310967

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 104744827) is 1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is CNC(CN(C)Cc1ccncc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is NHTAORKYGWURJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-17-16(15-6-4-3-5-7-15)13-19(2)12-14-8-10-18-11-9-14/h8-11,15-17H,3-7,12-13H2,1-2H3.
What are the key properties of 1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 261.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 104744827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).