4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide

C11H25N3O — CID 81086781

IUPAC4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)NCCCCN(C)C
InChIInChI=1S/C11H25N3O/c1-10(9-12)8-11(15)13-6-4-5-7-14(2)3/h10H,4-9,12H2,1-3H3,(H,13,15)
InChIKeyQUOGCSURWNTLHS-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.43
Rot. Bonds8

About 4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide

4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide (PubChem CID 81086781) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide
PubChem CID81086781
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)NCCCCN(C)C
InChIInChI=1S/C11H25N3O/c1-10(9-12)8-11(15)13-6-4-5-7-14(2)3/h10H,4-9,12H2,1-3H3,(H,13,15)
InChIKeyQUOGCSURWNTLHS-UHFFFAOYSA-N
XLogP0.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(3-cyanopropyl)-3-methylbutanamide
CID 81080393
4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 81086754
5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide
CID 82011389
N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadecanamide
CID 21297929
4-amino-N-(3-butoxypropyl)-3-methylbutanamide
CID 115737913
4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
CID 107221231
N-[3-(dimethylamino)propyl]-3-(ethylamino)butanamide
CID 62839311
5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965238
4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide
CID 115739206
methyl 3-[(4-amino-3-methylbutanoyl)amino]propanoate
CID 81087612
ethyl 3-[4-(dimethylamino)butylamino]-3-oxopropanoate
CID 110465406
4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide
CID 81070667

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide (CID 81086781) is 4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide is CC(CN)CC(=O)NCCCCN(C)C.
What is the InChIKey of 4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide?
The InChIKey is QUOGCSURWNTLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-10(9-12)8-11(15)13-6-4-5-7-14(2)3/h10H,4-9,12H2,1-3H3,(H,13,15).
What are the key properties of 4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide?
4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide has a molecular weight of 215.34 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide is sourced from PubChem (CID 81086781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).