4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide

C15H31N3O — CID 63890528

IUPAC4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide
SMILESCCC1CCC(CN)(N(C)CCCC(=O)NC)CC1
InChIInChI=1S/C15H31N3O/c1-4-13-7-9-15(12-16,10-8-13)18(3)11-5-6-14(19)17-2/h13H,4-12,16H2,1-3H3,(H,17,19)
InChIKeyVTUUILUUGWIFOK-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds7

About 4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide

4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide (PubChem CID 63890528) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide
PubChem CID63890528
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide
SMILESCCC1CCC(CN)(N(C)CCCC(=O)NC)CC1
InChIInChI=1S/C15H31N3O/c1-4-13-7-9-15(12-16,10-8-13)18(3)11-5-6-14(19)17-2/h13H,4-12,16H2,1-3H3,(H,17,19)
InChIKeyVTUUILUUGWIFOK-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

3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylpropanamide
CID 62326757
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N,N-dimethylpropanamide
CID 62005272
N'-[1-(aminomethyl)-4-ethylcyclohexyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694995
1-(aminomethyl)-N-(3-ethoxypropyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 65176634
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62008910
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide
CID 62008114
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
1-(aminomethyl)-3-ethyl-N-methyl-N-pentylcyclopentan-1-amine
CID 64500961
4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide
CID 63890957
3-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-N-ethylpropanamide
CID 62325844
3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide
CID 62326211
4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide
CID 79120771

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide?
The IUPAC name of 4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide (CID 63890528) is 4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide.
What is the SMILES notation for 4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide?
The canonical SMILES for 4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide is CCC1CCC(CN)(N(C)CCCC(=O)NC)CC1.
What is the InChIKey of 4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide?
The InChIKey is VTUUILUUGWIFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-13-7-9-15(12-16,10-8-13)18(3)11-5-6-14(19)17-2/h13H,4-12,16H2,1-3H3,(H,17,19).
What are the key properties of 4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide?
4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide 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 4-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-methylbutanamide is sourced from PubChem (CID 63890528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).