4-methyl-2-(methylamino)hex-4-en-3-ol

C8H17NO — CID 123366894

IUPAC4-methyl-2-(methylamino)hex-4-en-3-ol
SMILESCC=C(C)C(O)C(C)NC
InChIInChI=1S/C8H17NO/c1-5-6(2)8(10)7(3)9-4/h5,7-10H,1-4H3
InChIKeyLKVGOFJVJUATJE-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.92
Rot. Bonds3

About 4-methyl-2-(methylamino)hex-4-en-3-ol

4-methyl-2-(methylamino)hex-4-en-3-ol (PubChem CID 123366894) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-methyl-2-(methylamino)hex-4-en-3-ol.

Molecular Properties

Compound Name4-methyl-2-(methylamino)hex-4-en-3-ol
PubChem CID123366894
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-methyl-2-(methylamino)hex-4-en-3-ol
SMILESCC=C(C)C(O)C(C)NC
InChIInChI=1S/C8H17NO/c1-5-6(2)8(10)7(3)9-4/h5,7-10H,1-4H3
InChIKeyLKVGOFJVJUATJE-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-fluoro-1-(methylamino)-3-methylidenehept-4-en-2-ol
CID 134224683
(E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol
CID 10997149
1,1,1-Trifluoro-3-(6-methylhept-5-en-2-ylamino)propan-2-ol
CID 115712102
1-Cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol
CID 20196370
1-Cyclohexa-1,5-dien-1-yl-2-(propan-2-ylamino)ethanol
CID 20467338
1-Cyclohexa-1,5-dien-1-yl-2-(methylamino)propan-1-ol
CID 53704283
(E,2S,3R)-2-(dimethylamino)-4-methylhex-4-en-3-ol
CID 53786334
(E,2R,3R)-2-(dimethylamino)-4-methylhex-4-en-3-ol
CID 53786335
(2R)-1-(propan-2-ylamino)pent-3-en-2-ol
CID 54097564
2-Methyl-6-(methylamino)hept-2-en-1-ol
CID 54551357
(E)-5-(methylamino)hept-2-en-4-ol
CID 55286024
(+/-)-5-Methyl-1-methylamino-hex-4-en-3-ol
CID 55288000

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylamino)hex-4-en-3-ol?
The IUPAC name of 4-methyl-2-(methylamino)hex-4-en-3-ol (CID 123366894) is 4-methyl-2-(methylamino)hex-4-en-3-ol.
What is the SMILES notation for 4-methyl-2-(methylamino)hex-4-en-3-ol?
The canonical SMILES for 4-methyl-2-(methylamino)hex-4-en-3-ol is CC=C(C)C(O)C(C)NC.
What is the InChIKey of 4-methyl-2-(methylamino)hex-4-en-3-ol?
The InChIKey is LKVGOFJVJUATJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-6(2)8(10)7(3)9-4/h5,7-10H,1-4H3.
What are the key properties of 4-methyl-2-(methylamino)hex-4-en-3-ol?
4-methyl-2-(methylamino)hex-4-en-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylamino)hex-4-en-3-ol is sourced from PubChem (CID 123366894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).