3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide

C15H31N3O — CID 62008117

IUPAC3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide
SMILESCCC1CCC(CN)(N(CC)CC(C)C(N)=O)CC1
InChIInChI=1S/C15H31N3O/c1-4-13-6-8-15(11-16,9-7-13)18(5-2)10-12(3)14(17)19/h12-13H,4-11,16H2,1-3H3,(H2,17,19)
InChIKeyFFRZJQJTBIANHX-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.73
Rot. Bonds7

About 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide

3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide (PubChem CID 62008117) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide.

Molecular Properties

Compound Name3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide
PubChem CID62008117
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide
SMILESCCC1CCC(CN)(N(CC)CC(C)C(N)=O)CC1
InChIInChI=1S/C15H31N3O/c1-4-13-6-8-15(11-16,9-7-13)18(5-2)10-12(3)14(17)19/h12-13H,4-11,16H2,1-3H3,(H2,17,19)
InChIKeyFFRZJQJTBIANHX-UHFFFAOYSA-N
XLogP1.73
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 55191563
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide
CID 62009108
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide
CID 62008317
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
1-(aminomethyl)-N-ethyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine
CID 63471543
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide
CID 62008114
1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine
CID 79476914
1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine
CID 82926451
1-(aminomethyl)-4-ethyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 54986983
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide
CID 79161718
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62008910

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide?
The IUPAC name of 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide (CID 62008117) is 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide.
What is the SMILES notation for 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide?
The canonical SMILES for 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide is CCC1CCC(CN)(N(CC)CC(C)C(N)=O)CC1.
What is the InChIKey of 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide?
The InChIKey is FFRZJQJTBIANHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-13-6-8-15(11-16,9-7-13)18(5-2)10-12(3)14(17)19/h12-13H,4-11,16H2,1-3H3,(H2,17,19).
What are the key properties of 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide?
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide has a molecular weight of 269.43 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide is sourced from PubChem (CID 62008117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).