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

C15H33N3 — CID 103188091

IUPAC2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C1(CN)CCCCC1C
InChIInChI=1S/C15H33N3/c1-6-18(14(3)11-17(4)5)15(12-16)10-8-7-9-13(15)2/h13-14H,6-12,16H2,1-5H3
InChIKeyJRXURMCKTUGGPF-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.17
Rot. Bonds6

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

2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103188091) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103188091
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C1(CN)CCCCC1C
InChIInChI=1S/C15H33N3/c1-6-18(14(3)11-17(4)5)15(12-16)10-8-7-9-13(15)2/h13-14H,6-12,16H2,1-5H3
InChIKeyJRXURMCKTUGGPF-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

2-N-[1-(aminomethyl)-2-ethylcyclopentyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188193
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylcyclohexan-1-amine
CID 61453024
1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine
CID 65045613
2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188241
1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine
CID 112658341
2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188208
1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine
CID 65045048
2-N-[1-(aminomethyl)cyclopropyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 106661407
1-(aminomethyl)-N-cyclohexyl-N,2-dimethylcyclohexan-1-amine
CID 43409641
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine
CID 63955339
1-(aminomethyl)-N,2-dimethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 65045881
1-(aminomethyl)-N,2-dimethyl-N-(2-methylbutan-2-yl)cyclopentan-1-amine
CID 65045429

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103188091) is 2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(C(C)CN(C)C)C1(CN)CCCCC1C.
What is the InChIKey of 2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is JRXURMCKTUGGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-18(14(3)11-17(4)5)15(12-16)10-8-7-9-13(15)2/h13-14H,6-12,16H2,1-5H3.
What are the key properties of 2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103188091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).