(5S)-5-amino-2-methylidenehexan-1-ol

C7H15NO — CID 148586163

IUPAC(5S)-5-amino-2-methylidenehexan-1-ol
SMILESC=C(CO)CC[C@H](C)N
InChIInChI=1S/C7H15NO/c1-6(5-9)3-4-7(2)8/h7,9H,1,3-5,8H2,2H3/t7-/m0/s1
InChIKeyMZSUDXHXXALDRW-ZETCQYMHSA-N
MW129.20 g/mol
LogP0.66
Rot. Bonds4

About (5S)-5-amino-2-methylidenehexan-1-ol

(5S)-5-amino-2-methylidenehexan-1-ol (PubChem CID 148586163) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (5S)-5-amino-2-methylidenehexan-1-ol.

Molecular Properties

Compound Name(5S)-5-amino-2-methylidenehexan-1-ol
PubChem CID148586163
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(5S)-5-amino-2-methylidenehexan-1-ol
SMILESC=C(CO)CC[C@H](C)N
InChIInChI=1S/C7H15NO/c1-6(5-9)3-4-7(2)8/h7,9H,1,3-5,8H2,2H3/t7-/m0/s1
InChIKeyMZSUDXHXXALDRW-ZETCQYMHSA-N
XLogP0.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S)-5-amino-2-methylidenehexan-1-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 (5S)-5-amino-2-methylidenehexan-1-ol?
The IUPAC name of (5S)-5-amino-2-methylidenehexan-1-ol (CID 148586163) is (5S)-5-amino-2-methylidenehexan-1-ol.
What is the SMILES notation for (5S)-5-amino-2-methylidenehexan-1-ol?
The canonical SMILES for (5S)-5-amino-2-methylidenehexan-1-ol is C=C(CO)CC[C@H](C)N.
What is the InChIKey of (5S)-5-amino-2-methylidenehexan-1-ol?
The InChIKey is MZSUDXHXXALDRW-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(5-9)3-4-7(2)8/h7,9H,1,3-5,8H2,2H3/t7-/m0/s1.
What are the key properties of (5S)-5-amino-2-methylidenehexan-1-ol?
(5S)-5-amino-2-methylidenehexan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-2-methylidenehexan-1-ol is sourced from PubChem (CID 148586163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).