4-amino-N-(3-aminopropyl)-2-methylbutanamide

C8H19N3O — CID 80543775

IUPAC4-amino-N-(3-aminopropyl)-2-methylbutanamide
SMILESCC(CCN)C(=O)NCCCN
InChIInChI=1S/C8H19N3O/c1-7(3-5-10)8(12)11-6-2-4-9/h7H,2-6,9-10H2,1H3,(H,11,12)
InChIKeyCIKDXJUXHRMSTM-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.56
Rot. Bonds6

About 4-amino-N-(3-aminopropyl)-2-methylbutanamide

4-amino-N-(3-aminopropyl)-2-methylbutanamide (PubChem CID 80543775) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-amino-N-(3-aminopropyl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3-aminopropyl)-2-methylbutanamide
PubChem CID80543775
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name4-amino-N-(3-aminopropyl)-2-methylbutanamide
SMILESCC(CCN)C(=O)NCCCN
InChIInChI=1S/C8H19N3O/c1-7(3-5-10)8(12)11-6-2-4-9/h7H,2-6,9-10H2,1H3,(H,11,12)
InChIKeyCIKDXJUXHRMSTM-UHFFFAOYSA-N
XLogP-0.56
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.56
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

4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide
CID 115519191
N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide
CID 168915503
4-amino-2-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 80543906
7-[(4-amino-2-methylbutanoyl)amino]heptanoic acid
CID 80543842
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
5-amino-2-methyl-N-(7-methyloctyl)pentanamide
CID 104684762
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide
CID 80541244
5-amino-N-ethyl-2-methylpentanamide
CID 134525204
4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide
CID 107221139
4-amino-N-(2,3-dimethylbutyl)-2-methylbutanamide
CID 80544787
5-amino-2-methyl-N-(6-methylsulfanylhexyl)pentanamide
CID 114125400

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-aminopropyl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(3-aminopropyl)-2-methylbutanamide (CID 80543775) is 4-amino-N-(3-aminopropyl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(3-aminopropyl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(3-aminopropyl)-2-methylbutanamide is CC(CCN)C(=O)NCCCN.
What is the InChIKey of 4-amino-N-(3-aminopropyl)-2-methylbutanamide?
The InChIKey is CIKDXJUXHRMSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-7(3-5-10)8(12)11-6-2-4-9/h7H,2-6,9-10H2,1H3,(H,11,12).
What are the key properties of 4-amino-N-(3-aminopropyl)-2-methylbutanamide?
4-amino-N-(3-aminopropyl)-2-methylbutanamide has a molecular weight of 173.26 g/mol, XLogP of -0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-aminopropyl)-2-methylbutanamide is sourced from PubChem (CID 80543775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).