3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide

C10H21N3O2 — CID 81075818

IUPAC3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide
SMILESCCC(CN)CC(=O)NCCCC(N)=O
InChIInChI=1S/C10H21N3O2/c1-2-8(7-11)6-10(15)13-5-3-4-9(12)14/h8H,2-7,11H2,1H3,(H2,12,14)(H,13,15)
InChIKeyVZNFQVSRXVPEPQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.26
Rot. Bonds8

About 3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide

3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide (PubChem CID 81075818) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide
PubChem CID81075818
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide
SMILESCCC(CN)CC(=O)NCCCC(N)=O
InChIInChI=1S/C10H21N3O2/c1-2-8(7-11)6-10(15)13-5-3-4-9(12)14/h8H,2-7,11H2,1H3,(H2,12,14)(H,13,15)
InChIKeyVZNFQVSRXVPEPQ-UHFFFAOYSA-N
XLogP-0.26
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.26
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

3-(aminomethyl)-N-butylpentanamide
CID 81071551
3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
3-(aminomethyl)-N-(4-methoxybutyl)pentanamide
CID 81087341
3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide
CID 81070117
3-(aminomethyl)-N-(7-methyloctyl)pentanamide
CID 81086572
3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide
CID 106161224
3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide
CID 81086542
3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide
CID 81071498
3-(aminomethyl)-N-(2-cyclopropylethyl)pentanamide
CID 81080317
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 81070103
4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid
CID 107836045

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide (CID 81075818) is 3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide is CCC(CN)CC(=O)NCCCC(N)=O.
What is the InChIKey of 3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide?
The InChIKey is VZNFQVSRXVPEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-2-8(7-11)6-10(15)13-5-3-4-9(12)14/h8H,2-7,11H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide?
3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide has a molecular weight of 215.30 g/mol, XLogP of -0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide is sourced from PubChem (CID 81075818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).