4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide

C12H25N3O — CID 79120771

IUPAC4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide
SMILESCNC(=O)CCCN(C)C1CCC(N)CC1
InChIInChI=1S/C12H25N3O/c1-14-12(16)4-3-9-15(2)11-7-5-10(13)6-8-11/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyXVJWKGLVGSYTED-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds5

About 4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide

4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide (PubChem CID 79120771) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide
PubChem CID79120771
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide
SMILESCNC(=O)CCCN(C)C1CCC(N)CC1
InChIInChI=1S/C12H25N3O/c1-14-12(16)4-3-9-15(2)11-7-5-10(13)6-8-11/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyXVJWKGLVGSYTED-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide
CID 79116146
methyl 4-[(4-aminocyclohexyl)-methylamino]butanoate;dihydrochloride
CID 70135287
4-[cyclohexyl(methyl)amino]butanehydrazide
CID 63568701
4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide
CID 63893076
4-[cycloheptyl(methyl)amino]butanehydrazide
CID 63571638
4-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbutanamide
CID 63892543
2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide
CID 79467903
N-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide
CID 79120336
3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 106918215
4-[methyl-[1-(methylamino)piperidin-4-yl]amino]butanamide
CID 123922611
5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one
CID 61449187
4-[(4-aminocyclohexyl)-methylamino]butanenitrile
CID 79121422

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide?
The IUPAC name of 4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide (CID 79120771) is 4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide.
What is the SMILES notation for 4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide?
The canonical SMILES for 4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide is CNC(=O)CCCN(C)C1CCC(N)CC1.
What is the InChIKey of 4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide?
The InChIKey is XVJWKGLVGSYTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14-12(16)4-3-9-15(2)11-7-5-10(13)6-8-11/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide?
4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide is sourced from PubChem (CID 79120771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).