(3S)-6-amino-3-methylhex-1-en-2-ol

C7H15NO — CID 143710114

IUPAC(3S)-6-amino-3-methylhex-1-en-2-ol
SMILESC=C(O)[C@@H](C)CCCN
InChIInChI=1S/C7H15NO/c1-6(7(2)9)4-3-5-8/h6,9H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyYPLLWRAYRZVWLO-LURJTMIESA-N
MW129.20 g/mol
LogP1.43
Rot. Bonds4

About (3S)-6-amino-3-methylhex-1-en-2-ol

(3S)-6-amino-3-methylhex-1-en-2-ol (PubChem CID 143710114) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3S)-6-amino-3-methylhex-1-en-2-ol.

Molecular Properties

Compound Name(3S)-6-amino-3-methylhex-1-en-2-ol
PubChem CID143710114
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3S)-6-amino-3-methylhex-1-en-2-ol
SMILESC=C(O)[C@@H](C)CCCN
InChIInChI=1S/C7H15NO/c1-6(7(2)9)4-3-5-8/h6,9H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyYPLLWRAYRZVWLO-LURJTMIESA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-amino-3-methylhex-1-en-2-ol?
The IUPAC name of (3S)-6-amino-3-methylhex-1-en-2-ol (CID 143710114) is (3S)-6-amino-3-methylhex-1-en-2-ol.
What is the SMILES notation for (3S)-6-amino-3-methylhex-1-en-2-ol?
The canonical SMILES for (3S)-6-amino-3-methylhex-1-en-2-ol is C=C(O)[C@@H](C)CCCN.
What is the InChIKey of (3S)-6-amino-3-methylhex-1-en-2-ol?
The InChIKey is YPLLWRAYRZVWLO-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO/c1-6(7(2)9)4-3-5-8/h6,9H,2-5,8H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-6-amino-3-methylhex-1-en-2-ol?
(3S)-6-amino-3-methylhex-1-en-2-ol has a molecular weight of 129.20 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-amino-3-methylhex-1-en-2-ol is sourced from PubChem (CID 143710114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).