2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C15H33N3 — CID 103188208

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

About 2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103188208) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103188208
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C1(CN)CCCC(C)C1
InChIInChI=1S/C15H33N3/c1-6-18(14(3)11-17(4)5)15(12-16)9-7-8-13(2)10-15/h13-14H,6-12,16H2,1-5H3
InChIKeyCZCGZSQKOSEYDW-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

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Related Compounds

2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188231
2-N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188191
2-N-[1-(aminomethyl)cyclopropyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 106661407
1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine
CID 43568986
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopentan-1-amine
CID 64502008
2-N-[4-(aminomethyl)oxepan-4-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188230
1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine
CID 62007114
2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188053
2-N-[1-(aminomethyl)-2-ethylcyclopentyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188193
2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62006956
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine
CID 80698860
2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188091

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103188208) is 2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(C(C)CN(C)C)C1(CN)CCCC(C)C1.
What is the InChIKey of 2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is CZCGZSQKOSEYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-18(14(3)11-17(4)5)15(12-16)9-7-8-13(2)10-15/h13-14H,6-12,16H2,1-5H3.
What are the key properties of 2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[1-(aminomethyl)-3-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)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103188208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).