4-(aminomethyl)-2-pentylnonanamide

C15H32N2O — CID 23386238

IUPAC4-(aminomethyl)-2-pentylnonanamide
SMILESCCCCCC(CN)CC(CCCCC)C(N)=O
InChIInChI=1S/C15H32N2O/c1-3-5-7-9-13(12-16)11-14(15(17)18)10-8-6-4-2/h13-14H,3-12,16H2,1-2H3,(H2,17,18)
InChIKeyBWGMFHAFQQQHBC-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.21
Rot. Bonds12

About 4-(aminomethyl)-2-pentylnonanamide

4-(aminomethyl)-2-pentylnonanamide (PubChem CID 23386238) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-(aminomethyl)-2-pentylnonanamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-pentylnonanamide
PubChem CID23386238
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name4-(aminomethyl)-2-pentylnonanamide
SMILESCCCCCC(CN)CC(CCCCC)C(N)=O
InChIInChI=1S/C15H32N2O/c1-3-5-7-9-13(12-16)11-14(15(17)18)10-8-6-4-2/h13-14H,3-12,16H2,1-2H3,(H2,17,18)
InChIKeyBWGMFHAFQQQHBC-UHFFFAOYSA-N
XLogP3.21
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.21
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

(4S)-4-(chloromethyl)-2-pentylnonanamide
CID 59911731
4-carbamoyl-2-pentylnonanoic acid
CID 20609426
2-(2-chloroheptyl)decanamide
CID 57359712
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
ethene;2-hexadecyloctadecanamide
CID 87836706
2,9-dibutyldecanediamide
CID 141080467
azane;2-ethyldodecanamide
CID 174462460
2-(2-methylpropyl)heptan-1-amine
CID 62505521

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-pentylnonanamide?
The IUPAC name of 4-(aminomethyl)-2-pentylnonanamide (CID 23386238) is 4-(aminomethyl)-2-pentylnonanamide.
What is the SMILES notation for 4-(aminomethyl)-2-pentylnonanamide?
The canonical SMILES for 4-(aminomethyl)-2-pentylnonanamide is CCCCCC(CN)CC(CCCCC)C(N)=O.
What is the InChIKey of 4-(aminomethyl)-2-pentylnonanamide?
The InChIKey is BWGMFHAFQQQHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-3-5-7-9-13(12-16)11-14(15(17)18)10-8-6-4-2/h13-14H,3-12,16H2,1-2H3,(H2,17,18).
What are the key properties of 4-(aminomethyl)-2-pentylnonanamide?
4-(aminomethyl)-2-pentylnonanamide has a molecular weight of 256.43 g/mol, XLogP of 3.21, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-pentylnonanamide is sourced from PubChem (CID 23386238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).