3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide

C13H28N2O2 — CID 106116641

IUPAC3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide
SMILESCCCC(CCO)CNC(=O)CC(N)C(C)C
InChIInChI=1S/C13H28N2O2/c1-4-5-11(6-7-16)9-15-13(17)8-12(14)10(2)3/h10-12,16H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyPBUWLUUBUAWWII-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.27
Rot. Bonds9

About 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide

3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide (PubChem CID 106116641) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide
PubChem CID106116641
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide
SMILESCCCC(CCO)CNC(=O)CC(N)C(C)C
InChIInChI=1S/C13H28N2O2/c1-4-5-11(6-7-16)9-15-13(17)8-12(14)10(2)3/h10-12,16H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyPBUWLUUBUAWWII-UHFFFAOYSA-N
XLogP1.27
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide 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

(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide
CID 106116615
N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)acetamide;hydrochloride
CID 120704813
N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide
CID 103722907
3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103725598
3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide
CID 81080103
3-(dimethylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103820610
ethyl 2-amino-3-[2-(2-hydroxyethyl)pentylamino]-3-oxopropanoate
CID 106116797
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339
2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 113248427
N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide
CID 106115864
(2S)-3-[(3-amino-4-methylpentanoyl)amino]-2-hydroxypropanoic acid
CID 107835936
2-cyclopentyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103722752

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide?
The IUPAC name of 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide (CID 106116641) is 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide.
What is the SMILES notation for 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide?
The canonical SMILES for 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide is CCCC(CCO)CNC(=O)CC(N)C(C)C.
What is the InChIKey of 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide?
The InChIKey is PBUWLUUBUAWWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-5-11(6-7-16)9-15-13(17)8-12(14)10(2)3/h10-12,16H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide?
3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide has a molecular weight of 244.38 g/mol, XLogP of 1.27, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide is sourced from PubChem (CID 106116641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).