2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide

C15H31N3O — CID 62008114

IUPAC2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide
SMILESCCC1CCC(CN)(N(C)CC(=O)N(C)CC)CC1
InChIInChI=1S/C15H31N3O/c1-5-13-7-9-15(12-16,10-8-13)18(4)11-14(19)17(3)6-2/h13H,5-12,16H2,1-4H3
InChIKeyPBNGXHWUEPJVOX-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.69
Rot. Bonds6

About 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide

2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide (PubChem CID 62008114) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide
PubChem CID62008114
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide
SMILESCCC1CCC(CN)(N(C)CC(=O)N(C)CC)CC1
InChIInChI=1S/C15H31N3O/c1-5-13-7-9-15(12-16,10-8-13)18(4)11-14(19)17(3)6-2/h13H,5-12,16H2,1-4H3
InChIKeyPBNGXHWUEPJVOX-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62008910
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide
CID 62005272
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide
CID 62326757
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide
CID 62009108
4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide
CID 63890528
N'-[1-(aminomethyl)-4-ethylcyclohexyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694995
2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide
CID 62008324
1-(aminomethyl)-N-(3-ethoxypropyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 65176634
2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-cyclopropyl-N-methylacetamide
CID 62006209
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide
CID 62008117
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide
CID 62008317

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide (CID 62008114) is 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide is CCC1CCC(CN)(N(C)CC(=O)N(C)CC)CC1.
What is the InChIKey of 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide?
The InChIKey is PBNGXHWUEPJVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-13-7-9-15(12-16,10-8-13)18(4)11-14(19)17(3)6-2/h13H,5-12,16H2,1-4H3.
What are the key properties of 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide?
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide has a molecular weight of 269.43 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 62008114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).