N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine

C19H39N3 — CID 178121519

IUPACN'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)C1CCCCC1)CCN(C)C1CCCCC1
InChIInChI=1S/C19H39N3/c1-20(14-16-21(2)18-10-6-4-7-11-18)15-17-22(3)19-12-8-5-9-13-19/h18-19H,4-17H2,1-3H3
InChIKeyNJIVINIZBAJASL-UHFFFAOYSA-N
MW309.54 g/mol
LogP3.45
Rot. Bonds8

About N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine

N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 178121519) has the molecular formula C19H39N3 and a molecular weight of 309.54 g/mol. Its IUPAC name is N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID178121519
Molecular FormulaC19H39N3
Molecular Weight309.54 g/mol
Exact Mass309.31
IUPAC NameN'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)C1CCCCC1)CCN(C)C1CCCCC1
InChIInChI=1S/C19H39N3/c1-20(14-16-21(2)18-10-6-4-7-11-18)15-17-22(3)19-12-8-5-9-13-19/h18-19H,4-17H2,1-3H3
InChIKeyNJIVINIZBAJASL-UHFFFAOYSA-N
XLogP3.45
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-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'-cyclobutyl-N-ethyl-N,N'-dimethylethane-1,2-diamine
CID 143404354
N-cyclohexyl-N-methyl-N',N'-dipropylethane-1,2-diamine
CID 54810081
2-[cyclohexyl(methyl)amino]ethanol;hydrochloride
CID 69010720
N-butyl-N-methylcyclohexanamine;hydrochloride
CID 174640226
N-[2-[2-[cyclopentyl(methyl)amino]ethoxy]ethyl]-N-methylcyclopentanamine
CID 178121516
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylpropanamide
CID 70842283
ethane;N-ethyl-N-methylcyclohexanamine
CID 143070425
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
N-(5-bromopentyl)-N-methylcyclohexanamine
CID 14089133
N-(6-chlorohexyl)-N-methylcycloheptanamine
CID 62228773
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607501

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine (CID 178121519) is N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine is CN(CCN(C)C1CCCCC1)CCN(C)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is NJIVINIZBAJASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3/c1-20(14-16-21(2)18-10-6-4-7-11-18)15-17-22(3)19-12-8-5-9-13-19/h18-19H,4-17H2,1-3H3.
What are the key properties of N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine?
N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 309.54 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 178121519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).