6-amino-N-(4-hydroxybutyl)-2-methylheptanamide

C12H26N2O2 — CID 106841939

IUPAC6-amino-N-(4-hydroxybutyl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)NCCCCO
InChIInChI=1S/C12H26N2O2/c1-10(6-5-7-11(2)13)12(16)14-8-3-4-9-15/h10-11,15H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyLZZNIEIUCBDFLT-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.03
Rot. Bonds9

About 6-amino-N-(4-hydroxybutyl)-2-methylheptanamide

6-amino-N-(4-hydroxybutyl)-2-methylheptanamide (PubChem CID 106841939) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 6-amino-N-(4-hydroxybutyl)-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-(4-hydroxybutyl)-2-methylheptanamide
PubChem CID106841939
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name6-amino-N-(4-hydroxybutyl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)NCCCCO
InChIInChI=1S/C12H26N2O2/c1-10(6-5-7-11(2)13)12(16)14-8-3-4-9-15/h10-11,15H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyLZZNIEIUCBDFLT-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-amino-N-(4-hydroxybutyl)-2-methylheptanamide 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

6-amino-2-methyl-N-pentylheptanamide
CID 65292783
6-amino-2-methyl-N-propylheptanamide
CID 65292773
6-amino-2-methyl-N-(3-methylbutyl)heptanamide
CID 65293191
6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide
CID 83109295
6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide
CID 113327443
5-amino-N-(5-hydroxypentyl)hexanamide
CID 107317733
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
6-amino-2-methyl-N-prop-2-ynylheptanamide
CID 65292646
3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
CID 107842431
6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
CID 65292561
6-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylheptanamide
CID 65291228
2-methyl-N-nonyldecanamide
CID 141429494

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-hydroxybutyl)-2-methylheptanamide?
The IUPAC name of 6-amino-N-(4-hydroxybutyl)-2-methylheptanamide (CID 106841939) is 6-amino-N-(4-hydroxybutyl)-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-(4-hydroxybutyl)-2-methylheptanamide?
The canonical SMILES for 6-amino-N-(4-hydroxybutyl)-2-methylheptanamide is CC(N)CCCC(C)C(=O)NCCCCO.
What is the InChIKey of 6-amino-N-(4-hydroxybutyl)-2-methylheptanamide?
The InChIKey is LZZNIEIUCBDFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(6-5-7-11(2)13)12(16)14-8-3-4-9-15/h10-11,15H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 6-amino-N-(4-hydroxybutyl)-2-methylheptanamide?
6-amino-N-(4-hydroxybutyl)-2-methylheptanamide has a molecular weight of 230.35 g/mol, XLogP of 1.03, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-hydroxybutyl)-2-methylheptanamide is sourced from PubChem (CID 106841939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).