2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C14H31N3 — CID 103187895

IUPAC2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C1CCCCC1CN
InChIInChI=1S/C14H31N3/c1-5-17(12(2)11-16(3)4)14-9-7-6-8-13(14)10-15/h12-14H,5-11,15H2,1-4H3
InChIKeyKCUVKEDLPQOJFU-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.78
Rot. Bonds6

About 2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103187895) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103187895
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C1CCCCC1CN
InChIInChI=1S/C14H31N3/c1-5-17(12(2)11-16(3)4)14-9-7-6-8-13(14)10-15/h12-14H,5-11,15H2,1-4H3
InChIKeyKCUVKEDLPQOJFU-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine
CID 103188400
2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol
CID 103190447
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 43295431
2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid
CID 103191967
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
CID 103188428
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine
CID 103188347
2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile
CID 103188900
2-(aminomethyl)-N-methyl-N-propan-2-ylcyclopentan-1-amine
CID 43293401
2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 116502185
2-[[2-(aminomethyl)cyclohexyl]-pentan-3-ylamino]ethanol
CID 54993620
2-N-butan-2-yl-2-N-ethylcyclohexane-1,2-diamine
CID 43274468
2-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]acetamide
CID 54988934

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103187895) is 2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(C(C)CN(C)C)C1CCCCC1CN.
What is the InChIKey of 2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is KCUVKEDLPQOJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-17(12(2)11-16(3)4)14-9-7-6-8-13(14)10-15/h12-14H,5-11,15H2,1-4H3.
What are the key properties of 2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103187895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).