2-(aminomethyl)-N-(3-aminopropyl)butanamide

C8H19N3O — CID 65229428

IUPAC2-(aminomethyl)-N-(3-aminopropyl)butanamide
SMILESCCC(CN)C(=O)NCCCN
InChIInChI=1S/C8H19N3O/c1-2-7(6-10)8(12)11-5-3-4-9/h7H,2-6,9-10H2,1H3,(H,11,12)
InChIKeyQECSLLXLNUDLHE-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.56
Rot. Bonds6

About 2-(aminomethyl)-N-(3-aminopropyl)butanamide

2-(aminomethyl)-N-(3-aminopropyl)butanamide (PubChem CID 65229428) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-aminopropyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-aminopropyl)butanamide
PubChem CID65229428
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name2-(aminomethyl)-N-(3-aminopropyl)butanamide
SMILESCCC(CN)C(=O)NCCCN
InChIInChI=1S/C8H19N3O/c1-2-7(6-10)8(12)11-5-3-4-9/h7H,2-6,9-10H2,1H3,(H,11,12)
InChIKeyQECSLLXLNUDLHE-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

2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide
CID 107842589
2-(aminomethyl)-N-(7-methyloctyl)butanamide
CID 65229476
5-[2-(aminomethyl)butanoylamino]-2-methylpentanoic acid
CID 104685698
ethyl 4-[2-(aminomethyl)butanoylamino]butanoate
CID 65228483
methyl 3-[2-(aminomethyl)butanoylamino]propanoate
CID 65228741
2-(aminomethyl)-N-(2-methylbutyl)butanamide
CID 62691581
2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide
CID 104759858
2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide
CID 65229755
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
2-(aminomethyl)-N-(3-aminopropyl)-3-methylbutanamide
CID 65229477
N-(3-aminopropyl)-2-(2-ethoxyethoxy)propanamide
CID 119407373
N-[2-[2-(aminomethyl)butanoylamino]ethyl]-4-methylbenzamide
CID 65227665

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-aminopropyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-aminopropyl)butanamide (CID 65229428) is 2-(aminomethyl)-N-(3-aminopropyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-aminopropyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-aminopropyl)butanamide is CCC(CN)C(=O)NCCCN.
What is the InChIKey of 2-(aminomethyl)-N-(3-aminopropyl)butanamide?
The InChIKey is QECSLLXLNUDLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-2-7(6-10)8(12)11-5-3-4-9/h7H,2-6,9-10H2,1H3,(H,11,12).
What are the key properties of 2-(aminomethyl)-N-(3-aminopropyl)butanamide?
2-(aminomethyl)-N-(3-aminopropyl)butanamide 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 2-(aminomethyl)-N-(3-aminopropyl)butanamide is sourced from PubChem (CID 65229428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).