2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide

C10H23N3O — CID 76897344

IUPAC2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCCCCN
InChIInChI=1S/C10H23N3O/c1-10(2,3)8(12)9(14)13-7-5-4-6-11/h8H,4-7,11-12H2,1-3H3,(H,13,14)
InChIKeyYIGVKPHGLZYUJN-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.21
Rot. Bonds5

About 2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide

2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide (PubChem CID 76897344) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
PubChem CID76897344
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCCCCN
InChIInChI=1S/C10H23N3O/c1-10(2,3)8(12)9(14)13-7-5-4-6-11/h8H,4-7,11-12H2,1-3H3,(H,13,14)
InChIKeyYIGVKPHGLZYUJN-UHFFFAOYSA-N
XLogP0.21
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
(2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide
CID 106213078
(2S)-2-amino-N-(4-methoxybutyl)-3,3-dimethylbutanamide;hydrochloride
CID 119722377
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375
(2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide
CID 104876667
(2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide
CID 103929425
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 106161327
2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide
CID 113288255
(2S)-2-amino-3,3-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114140545

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide (CID 76897344) is 2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)NCCCCN.
What is the InChIKey of 2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide?
The InChIKey is YIGVKPHGLZYUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-10(2,3)8(12)9(14)13-7-5-4-6-11/h8H,4-7,11-12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide?
2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide has a molecular weight of 201.31 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 76897344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).