(E)-2-(methylamino)hex-3-en-2-ol

C7H15NO — CID 152934971

IUPAC(E)-2-(methylamino)hex-3-en-2-ol
SMILESCC/C=C/C(C)(O)NC
InChIInChI=1S/C7H15NO/c1-4-5-6-7(2,9)8-3/h5-6,8-9H,4H2,1-3H3/b6-5+
InChIKeyULRPMPDGPCOIJR-AATRIKPKSA-N
MW129.20 g/mol
LogP0.88
Rot. Bonds3

About (E)-2-(methylamino)hex-3-en-2-ol

(E)-2-(methylamino)hex-3-en-2-ol (PubChem CID 152934971) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (E)-2-(methylamino)hex-3-en-2-ol.

Molecular Properties

Compound Name(E)-2-(methylamino)hex-3-en-2-ol
PubChem CID152934971
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(E)-2-(methylamino)hex-3-en-2-ol
SMILESCC/C=C/C(C)(O)NC
InChIInChI=1S/C7H15NO/c1-4-5-6-7(2,9)8-3/h5-6,8-9H,4H2,1-3H3/b6-5+
InChIKeyULRPMPDGPCOIJR-AATRIKPKSA-N
XLogP0.88
TPSA32.26 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 ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;ethene;(E)-2-(methylamino)hex-3-en-2-ol;methylcyclohexane;hydrochloride
CID 169239336
(E)-2,2-dimethylhex-3-ene
CID 5357261
(1E,4E)-N,3,3-trimethylhepta-1,4-dien-1-amine
CID 155307327
(Z)-2-hydroxy-2-methylhex-3-enamide
CID 146609859
(E)-but-1-en-1-ol;2-methylbut-3-en-2-ol
CID 141182868
2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide
CID 163696706
pent-2-ene-1,1,1-triamine
CID 91102245
(5Z)-4,4-dimethylocta-1,5-dien-3-ol
CID 173450369
[(E)-2-methylhex-3-en-2-yl]oxysilane
CID 173198627
methyl 2-hydroxy-2-methylocta-3,5-dienoate
CID 71407260
2-ethyl-2-methyl-1-(3-methylpentan-3-ylamino)hex-3-en-1-ol
CID 146521804
ethyl (E)-2,2-dimethylhex-3-enoate
CID 21487406

Frequently Asked Questions

What is the IUPAC name of (E)-2-(methylamino)hex-3-en-2-ol?
The IUPAC name of (E)-2-(methylamino)hex-3-en-2-ol (CID 152934971) is (E)-2-(methylamino)hex-3-en-2-ol.
What is the SMILES notation for (E)-2-(methylamino)hex-3-en-2-ol?
The canonical SMILES for (E)-2-(methylamino)hex-3-en-2-ol is CC/C=C/C(C)(O)NC.
What is the InChIKey of (E)-2-(methylamino)hex-3-en-2-ol?
The InChIKey is ULRPMPDGPCOIJR-AATRIKPKSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-6-7(2,9)8-3/h5-6,8-9H,4H2,1-3H3/b6-5+.
What are the key properties of (E)-2-(methylamino)hex-3-en-2-ol?
(E)-2-(methylamino)hex-3-en-2-ol has a molecular weight of 129.20 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(methylamino)hex-3-en-2-ol is sourced from PubChem (CID 152934971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).