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

C13H27N3O — CID 79116146

IUPAC4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide
SMILESCCN(CCCC(=O)NC)C1CCC(N)CC1
InChIInChI=1S/C13H27N3O/c1-3-16(10-4-5-13(17)15-2)12-8-6-11(14)7-9-12/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyCQKZAWCAIUEGIX-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.10
Rot. Bonds6

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

4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide (PubChem CID 79116146) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide
PubChem CID79116146
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide
SMILESCCN(CCCC(=O)NC)C1CCC(N)CC1
InChIInChI=1S/C13H27N3O/c1-3-16(10-4-5-13(17)15-2)12-8-6-11(14)7-9-12/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyCQKZAWCAIUEGIX-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide
CID 79120771
4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide
CID 63893076
3-[(4-aminocyclohexyl)-ethylamino]propanoic acid
CID 79115702
4-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbutanamide
CID 63892543
3-[(4-aminocyclohexyl)-ethylamino]propan-1-ol
CID 79115547
ethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate
CID 79116311
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119874340
3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide
CID 79116151
1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one
CID 92924220
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661
methyl 4-[[2-[(4-aminocyclohexyl)-ethylamino]acetyl]amino]butanoate
CID 79114779
4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine
CID 79115090

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide?
The IUPAC name of 4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide (CID 79116146) is 4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide.
What is the SMILES notation for 4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide?
The canonical SMILES for 4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide is CCN(CCCC(=O)NC)C1CCC(N)CC1.
What is the InChIKey of 4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide?
The InChIKey is CQKZAWCAIUEGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-16(10-4-5-13(17)15-2)12-8-6-11(14)7-9-12/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide?
4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide has a molecular weight of 241.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide is sourced from PubChem (CID 79116146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).