3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide

C12H26N2O2 — CID 81080103

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

About 3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide

3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide (PubChem CID 81080103) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide
PubChem CID81080103
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide
SMILESCCC(CCO)CNC(=O)CC(CC)CN
InChIInChI=1S/C12H26N2O2/c1-3-10(5-6-15)9-14-12(16)7-11(4-2)8-13/h10-11,15H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyTVBFTAIDKBOSGV-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

Analyze 3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
CID 81080106
2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
CID 81080901
3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide
CID 106349751
3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
3-(aminomethyl)-N-butylpentanamide
CID 81071551
3-(aminomethyl)pentanehydrazide
CID 81079841
3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide
CID 106161224
3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 81079509
3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid
CID 107836045
3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide
CID 81075818
3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide
CID 103461469

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide (CID 81080103) is 3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide is CCC(CCO)CNC(=O)CC(CC)CN.
What is the InChIKey of 3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide?
The InChIKey is TVBFTAIDKBOSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-10(5-6-15)9-14-12(16)7-11(4-2)8-13/h10-11,15H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide?
3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)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-(2-ethyl-4-hydroxybutyl)pentanamide is sourced from PubChem (CID 81080103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).