(2R)-2-amino-3-methylidenehexan-1-ol

C7H15NO — CID 155396355

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

About (2R)-2-amino-3-methylidenehexan-1-ol

(2R)-2-amino-3-methylidenehexan-1-ol (PubChem CID 155396355) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (2R)-2-amino-3-methylidenehexan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-methylidenehexan-1-ol
PubChem CID155396355
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(2R)-2-amino-3-methylidenehexan-1-ol
SMILESC=C(CCC)[C@@H](N)CO
InChIInChI=1S/C7H15NO/c1-3-4-6(2)7(8)5-9/h7,9H,2-5,8H2,1H3/t7-/m0/s1
InChIKeyCVGYGLKHFIJYIW-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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methylidenehexan-1-ol?
The IUPAC name of (2R)-2-amino-3-methylidenehexan-1-ol (CID 155396355) is (2R)-2-amino-3-methylidenehexan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-methylidenehexan-1-ol?
The canonical SMILES for (2R)-2-amino-3-methylidenehexan-1-ol is C=C(CCC)[C@@H](N)CO.
What is the InChIKey of (2R)-2-amino-3-methylidenehexan-1-ol?
The InChIKey is CVGYGLKHFIJYIW-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-4-6(2)7(8)5-9/h7,9H,2-5,8H2,1H3/t7-/m0/s1.
What are the key properties of (2R)-2-amino-3-methylidenehexan-1-ol?
(2R)-2-amino-3-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 (2R)-2-amino-3-methylidenehexan-1-ol is sourced from PubChem (CID 155396355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).