3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide

C15H31N3O — CID 62005272

IUPAC3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide
SMILESCCC1CCC(CN)(N(C)CCC(=O)N(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-5-13-6-9-15(12-16,10-7-13)18(4)11-8-14(19)17(2)3/h13H,5-12,16H2,1-4H3
InChIKeyLIZBRNIHFJCHRA-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.69
Rot. Bonds6

About 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide

3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide (PubChem CID 62005272) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide
PubChem CID62005272
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide
SMILESCCC1CCC(CN)(N(C)CCC(=O)N(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-5-13-6-9-15(12-16,10-7-13)18(4)11-8-14(19)17(2)3/h13H,5-12,16H2,1-4H3
InChIKeyLIZBRNIHFJCHRA-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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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide (CID 62005272) is 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide is CCC1CCC(CN)(N(C)CCC(=O)N(C)C)CC1.
What is the InChIKey of 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide?
The InChIKey is LIZBRNIHFJCHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-13-6-9-15(12-16,10-7-13)18(4)11-8-14(19)17(2)3/h13H,5-12,16H2,1-4H3.
What are the key properties of 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide?
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide 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 3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 62005272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).