3-(aminomethyl)-N-butylpentanamide

C10H22N2O — CID 81071551

IUPAC3-(aminomethyl)-N-butylpentanamide
SMILESCCCCNC(=O)CC(CC)CN
InChIInChI=1S/C10H22N2O/c1-3-5-6-12-10(13)7-9(4-2)8-11/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyGVUKQYUZWVWAGE-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.28
Rot. Bonds7

About 3-(aminomethyl)-N-butylpentanamide

3-(aminomethyl)-N-butylpentanamide (PubChem CID 81071551) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-butylpentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-butylpentanamide
PubChem CID81071551
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-(aminomethyl)-N-butylpentanamide
SMILESCCCCNC(=O)CC(CC)CN
InChIInChI=1S/C10H22N2O/c1-3-5-6-12-10(13)7-9(4-2)8-11/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyGVUKQYUZWVWAGE-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.28
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-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide
CID 81075818
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-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide
CID 106161224
3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide
CID 81086542
3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide
CID 81071498
N-(2-aminoethyl)-3-ethyloctanamide
CID 88999094
4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid
CID 107836045
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 81070103

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-butylpentanamide?
The IUPAC name of 3-(aminomethyl)-N-butylpentanamide (CID 81071551) is 3-(aminomethyl)-N-butylpentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-butylpentanamide?
The canonical SMILES for 3-(aminomethyl)-N-butylpentanamide is CCCCNC(=O)CC(CC)CN.
What is the InChIKey of 3-(aminomethyl)-N-butylpentanamide?
The InChIKey is GVUKQYUZWVWAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-5-6-12-10(13)7-9(4-2)8-11/h9H,3-8,11H2,1-2H3,(H,12,13).
What are the key properties of 3-(aminomethyl)-N-butylpentanamide?
3-(aminomethyl)-N-butylpentanamide has a molecular weight of 186.30 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-butylpentanamide is sourced from PubChem (CID 81071551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).