1-amino-2-methylhexan-3-ol

C7H17NO — CID 65190107

IUPAC1-amino-2-methylhexan-3-ol
SMILESCCCC(O)C(C)CN
InChIInChI=1S/C7H17NO/c1-3-4-7(9)6(2)5-8/h6-7,9H,3-5,8H2,1-2H3
InChIKeyHCCXCMPWGADUTR-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.74
Rot. Bonds4

About 1-amino-2-methylhexan-3-ol

1-amino-2-methylhexan-3-ol (PubChem CID 65190107) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-amino-2-methylhexan-3-ol.

Molecular Properties

Compound Name1-amino-2-methylhexan-3-ol
PubChem CID65190107
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name1-amino-2-methylhexan-3-ol
SMILESCCCC(O)C(C)CN
InChIInChI=1S/C7H17NO/c1-3-4-7(9)6(2)5-8/h6-7,9H,3-5,8H2,1-2H3
InChIKeyHCCXCMPWGADUTR-UHFFFAOYSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-amino-2-methylhexan-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methylhexan-3-ol?
The IUPAC name of 1-amino-2-methylhexan-3-ol (CID 65190107) is 1-amino-2-methylhexan-3-ol.
What is the SMILES notation for 1-amino-2-methylhexan-3-ol?
The canonical SMILES for 1-amino-2-methylhexan-3-ol is CCCC(O)C(C)CN.
What is the InChIKey of 1-amino-2-methylhexan-3-ol?
The InChIKey is HCCXCMPWGADUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-3-4-7(9)6(2)5-8/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 1-amino-2-methylhexan-3-ol?
1-amino-2-methylhexan-3-ol has a molecular weight of 131.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylhexan-3-ol is sourced from PubChem (CID 65190107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).