3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide

C12H26N2O2 — CID 106161224

IUPAC3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide
SMILESCCC(CN)CC(=O)NCCCC(C)CO
InChIInChI=1S/C12H26N2O2/c1-3-11(8-13)7-12(16)14-6-4-5-10(2)9-15/h10-11,15H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyWQLUUEDTXMXJHS-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.89
Rot. Bonds9

About 3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide

3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide (PubChem CID 106161224) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide
PubChem CID106161224
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide
SMILESCCC(CN)CC(=O)NCCCC(C)CO
InChIInChI=1S/C12H26N2O2/c1-3-11(8-13)7-12(16)14-6-4-5-10(2)9-15/h10-11,15H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyWQLUUEDTXMXJHS-UHFFFAOYSA-N
XLogP0.89
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.89
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-(7-methyloctyl)pentanamide
CID 81086572
3-amino-N-(5-hydroxy-4-methylpentyl)butanamide
CID 106161336
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-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide
CID 81080103
3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 81070103
4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid
CID 107836045
2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide
CID 103861792

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide (CID 106161224) is 3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide is CCC(CN)CC(=O)NCCCC(C)CO.
What is the InChIKey of 3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide?
The InChIKey is WQLUUEDTXMXJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-11(8-13)7-12(16)14-6-4-5-10(2)9-15/h10-11,15H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide?
3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide has a molecular weight of 230.35 g/mol, XLogP of 0.89, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide is sourced from PubChem (CID 106161224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).