5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide

C12H27N3O — CID 82851936

IUPAC5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide
SMILESCC(N)CCCC(=O)NC(C)CCN(C)C
InChIInChI=1S/C12H27N3O/c1-10(13)6-5-7-12(16)14-11(2)8-9-15(3)4/h10-11H,5-9,13H2,1-4H3,(H,14,16)
InChIKeyMCUJELFZRLKNKH-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.96
Rot. Bonds8

About 5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide

5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide (PubChem CID 82851936) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide.

Molecular Properties

Compound Name5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide
PubChem CID82851936
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide
SMILESCC(N)CCCC(=O)NC(C)CCN(C)C
InChIInChI=1S/C12H27N3O/c1-10(13)6-5-7-12(16)14-11(2)8-9-15(3)4/h10-11H,5-9,13H2,1-4H3,(H,14,16)
InChIKeyMCUJELFZRLKNKH-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[2-(dimethylamino)ethyl]-N-methylhexanamide
CID 82852143
5-amino-N-pentan-3-ylhexanamide
CID 82848944
ethyl 2-(5-aminohexanoylamino)propanoate
CID 82851561
5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide
CID 82851272
2-(5-aminohexanoylamino)butanoic acid
CID 82851641
2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide
CID 54963536
(2R)-2-(5-aminohexanoylamino)hexanedioic acid
CID 107835557
(2S)-2-(5-aminohexanoylamino)hexanoic acid
CID 107146995
5-amino-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177679
4-amino-N-(5,5-dimethylhexan-2-yl)pentanamide;hydrochloride
CID 120563103
5-amino-N-cyanohexanamide
CID 82852451
2-(5-aminohexanoylamino)-N,4-dimethylpentanamide
CID 82848725

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide?
The IUPAC name of 5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide (CID 82851936) is 5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide.
What is the SMILES notation for 5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide?
The canonical SMILES for 5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide is CC(N)CCCC(=O)NC(C)CCN(C)C.
What is the InChIKey of 5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide?
The InChIKey is MCUJELFZRLKNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-10(13)6-5-7-12(16)14-11(2)8-9-15(3)4/h10-11H,5-9,13H2,1-4H3,(H,14,16).
What are the key properties of 5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide?
5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide has a molecular weight of 229.37 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide is sourced from PubChem (CID 82851936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).