2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide

C15H31N3O — CID 62008910

IUPAC2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
SMILESCCC1CCC(CN)(N(C)CC(=O)NC(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-5-13-6-8-15(11-16,9-7-13)18(4)10-14(19)17-12(2)3/h12-13H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyVWVOWXZFPYKGNP-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds6

About 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide

2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 62008910) 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-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID62008910
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
SMILESCCC1CCC(CN)(N(C)CC(=O)NC(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-5-13-6-8-15(11-16,9-7-13)18(4)10-14(19)17-12(2)3/h12-13H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyVWVOWXZFPYKGNP-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62006956
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide
CID 62008114
2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide
CID 62010140
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide
CID 62326757
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide
CID 63890528
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide
CID 62005272
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide
CID 62008317
3-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-propan-2-ylpropanamide
CID 55098337
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide
CID 62007529
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide
CID 62009108
2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide
CID 62007739

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide (CID 62008910) is 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide is CCC1CCC(CN)(N(C)CC(=O)NC(C)C)CC1.
What is the InChIKey of 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is VWVOWXZFPYKGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-13-6-8-15(11-16,9-7-13)18(4)10-14(19)17-12(2)3/h12-13H,5-11,16H2,1-4H3,(H,17,19).
What are the key properties of 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide?
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 62008910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).