(3R)-3-amino-4-methylidenehexan-2-ol

C7H15NO — CID 166707734

IUPAC(3R)-3-amino-4-methylidenehexan-2-ol
SMILESC=C(CC)[C@@H](N)C(C)O
InChIInChI=1S/C7H15NO/c1-4-5(2)7(8)6(3)9/h6-7,9H,2,4,8H2,1,3H3/t6?,7-/m1/s1
InChIKeyRSVULPOJLQSJPC-COBSHVIPSA-N
MW129.20 g/mol
LogP0.66
Rot. Bonds3

About (3R)-3-amino-4-methylidenehexan-2-ol

(3R)-3-amino-4-methylidenehexan-2-ol (PubChem CID 166707734) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3R)-3-amino-4-methylidenehexan-2-ol.

Molecular Properties

Compound Name(3R)-3-amino-4-methylidenehexan-2-ol
PubChem CID166707734
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3R)-3-amino-4-methylidenehexan-2-ol
SMILESC=C(CC)[C@@H](N)C(C)O
InChIInChI=1S/C7H15NO/c1-4-5(2)7(8)6(3)9/h6-7,9H,2,4,8H2,1,3H3/t6?,7-/m1/s1
InChIKeyRSVULPOJLQSJPC-COBSHVIPSA-N
XLogP0.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 (3R)-3-amino-4-methylidenehexan-2-ol?
The IUPAC name of (3R)-3-amino-4-methylidenehexan-2-ol (CID 166707734) is (3R)-3-amino-4-methylidenehexan-2-ol.
What is the SMILES notation for (3R)-3-amino-4-methylidenehexan-2-ol?
The canonical SMILES for (3R)-3-amino-4-methylidenehexan-2-ol is C=C(CC)[C@@H](N)C(C)O.
What is the InChIKey of (3R)-3-amino-4-methylidenehexan-2-ol?
The InChIKey is RSVULPOJLQSJPC-COBSHVIPSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5(2)7(8)6(3)9/h6-7,9H,2,4,8H2,1,3H3/t6?,7-/m1/s1.
What are the key properties of (3R)-3-amino-4-methylidenehexan-2-ol?
(3R)-3-amino-4-methylidenehexan-2-ol has a molecular weight of 129.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-methylidenehexan-2-ol is sourced from PubChem (CID 166707734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).