N-(3-aminopropyl)-3-methylbutanamide

C8H18N2O — CID 23588483

IUPACN-(3-aminopropyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCCCN
InChIInChI=1S/C8H18N2O/c1-7(2)6-8(11)10-5-3-4-9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyVZVQIUBQNKAMTI-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.50
Rot. Bonds5

About N-(3-aminopropyl)-3-methylbutanamide

N-(3-aminopropyl)-3-methylbutanamide (PubChem CID 23588483) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-methylbutanamide
PubChem CID23588483
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN-(3-aminopropyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCCCN
InChIInChI=1S/C8H18N2O/c1-7(2)6-8(11)10-5-3-4-9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyVZVQIUBQNKAMTI-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
N-(4-chloropentyl)-3-methylbutanamide
CID 106129611
N-[(2R)-2,5-diaminopentyl]-3-methylbutanamide
CID 156664171
5-(4-aminobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965238
N-(3-aminopropyl)propanamide
CID 21290277
3-methyl-N-(4-oxobutyl)butanamide;yttrium
CID 140577553
3-methyl-N-(10-oxoundecyl)butanamide
CID 167541538
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
N-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride
CID 119408410
1-(3-aminopropyl)-3-(2-methylpropyl)urea
CID 117235685
N-(3-aminopropyl)-3-hydroxytetradecanamide
CID 139771508
5-amino-N-(3-aminopropyl)hexanamide
CID 82851276

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-methylbutanamide?
The IUPAC name of N-(3-aminopropyl)-3-methylbutanamide (CID 23588483) is N-(3-aminopropyl)-3-methylbutanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-methylbutanamide?
The canonical SMILES for N-(3-aminopropyl)-3-methylbutanamide is CC(C)CC(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-3-methylbutanamide?
The InChIKey is VZVQIUBQNKAMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2)6-8(11)10-5-3-4-9/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of N-(3-aminopropyl)-3-methylbutanamide?
N-(3-aminopropyl)-3-methylbutanamide has a molecular weight of 158.24 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-methylbutanamide is sourced from PubChem (CID 23588483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).