2-N-[(2-amino-5,5-dimethylcyclohexyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C16H35N3 — CID 103191308

IUPAC2-N-[(2-amino-5,5-dimethylcyclohexyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC1CC(C)(C)CCC1N)C(C)CN(C)C
InChIInChI=1S/C16H35N3/c1-7-19(13(2)11-18(5)6)12-14-10-16(3,4)9-8-15(14)17/h13-15H,7-12,17H2,1-6H3
InChIKeyJIRSQIBWUDXWMD-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.41
Rot. Bonds6

About 2-N-[(2-amino-5,5-dimethylcyclohexyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[(2-amino-5,5-dimethylcyclohexyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103191308) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-N-[(2-amino-5,5-dimethylcyclohexyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-amino-5,5-dimethylcyclohexyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103191308
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-N-[(2-amino-5,5-dimethylcyclohexyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC1CC(C)(C)CCC1N)C(C)CN(C)C
InChIInChI=1S/C16H35N3/c1-7-19(13(2)11-18(5)6)12-14-10-16(3,4)9-8-15(14)17/h13-15H,7-12,17H2,1-6H3
InChIKeyJIRSQIBWUDXWMD-UHFFFAOYSA-N
XLogP2.41
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-amino-5,5-dimethylcyclohexyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(2-amino-5,5-dimethylcyclohexyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103191308) is 2-N-[(2-amino-5,5-dimethylcyclohexyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-amino-5,5-dimethylcyclohexyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(2-amino-5,5-dimethylcyclohexyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(CC1CC(C)(C)CCC1N)C(C)CN(C)C.
What is the InChIKey of 2-N-[(2-amino-5,5-dimethylcyclohexyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is JIRSQIBWUDXWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-7-19(13(2)11-18(5)6)12-14-10-16(3,4)9-8-15(14)17/h13-15H,7-12,17H2,1-6H3.
What are the key properties of 2-N-[(2-amino-5,5-dimethylcyclohexyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[(2-amino-5,5-dimethylcyclohexyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-amino-5,5-dimethylcyclohexyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103191308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).