3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide

C15H31N3O — CID 62326211

IUPAC3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide
SMILESCCCN(CCC(=O)NC)C1(CN)CCC(C)CC1
InChIInChI=1S/C15H31N3O/c1-4-10-18(11-7-14(19)17-3)15(12-16)8-5-13(2)6-9-15/h13H,4-12,16H2,1-3H3,(H,17,19)
InChIKeyOUZYFIOFYZYQAV-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds7

About 3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide

3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide (PubChem CID 62326211) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide
PubChem CID62326211
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide
SMILESCCCN(CCC(=O)NC)C1(CN)CCC(C)CC1
InChIInChI=1S/C15H31N3O/c1-4-10-18(11-7-14(19)17-3)15(12-16)8-5-13(2)6-9-15/h13H,4-12,16H2,1-3H3,(H,17,19)
InChIKeyOUZYFIOFYZYQAV-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide
CID 62006925
4-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N,N-dimethylbutanamide
CID 62005625
4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide
CID 63890957
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide
CID 62326757
3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide
CID 62325844
1-(aminomethyl)-4-methyl-N-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 115513355
1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
CID 63487333
1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine
CID 103178113
4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide
CID 63890528
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 62006571
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide
CID 62006572

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide?
The IUPAC name of 3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide (CID 62326211) is 3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide is CCCN(CCC(=O)NC)C1(CN)CCC(C)CC1.
What is the InChIKey of 3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide?
The InChIKey is OUZYFIOFYZYQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-10-18(11-7-14(19)17-3)15(12-16)8-5-13(2)6-9-15/h13H,4-12,16H2,1-3H3,(H,17,19).
What are the key properties of 3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide?
3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 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-methylcyclohexyl]-propylamino]-N-methylpropanamide is sourced from PubChem (CID 62326211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).