4-(methylamino)cyclohex-2-en-1-ol

C7H13NO — CID 146504635

IUPAC4-(methylamino)cyclohex-2-en-1-ol
SMILESCNC1C=CC(O)CC1
InChIInChI=1S/C7H13NO/c1-8-6-2-4-7(9)5-3-6/h2,4,6-9H,3,5H2,1H3
InChIKeyPCFOCMRUQPPYTA-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.29
Rot. Bonds1

About 4-(methylamino)cyclohex-2-en-1-ol

4-(methylamino)cyclohex-2-en-1-ol (PubChem CID 146504635) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-(methylamino)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-(methylamino)cyclohex-2-en-1-ol
PubChem CID146504635
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-(methylamino)cyclohex-2-en-1-ol
SMILESCNC1C=CC(O)CC1
InChIInChI=1S/C7H13NO/c1-8-6-2-4-7(9)5-3-6/h2,4,6-9H,3,5H2,1H3
InChIKeyPCFOCMRUQPPYTA-UHFFFAOYSA-N
XLogP0.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.29
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

4-Aminocyclohex-2-en-1-ol
CID 12651622
(1R,4S)-4-aminocyclohex-2-en-1-ol
CID 12651623
2-Cyclohexenol, 4-acetamido-, E\\trans-
CID 538536
(1R,4S)-4-(methylamino)cyclohept-2-en-1-ol
CID 11819160
5-(Methylaminomethyl)cyclohex-2-en-1-ol
CID 14737758
rac-(1R,4S)-4-aminocyclohex-2-en-1-ol
CID 12651624
1-(1,2,3,6-Tetrahydropyridin-4-yl)but-3-en-1-ol
CID 20320954
4-(Cyclohex-2-en-1-ylamino)cyclohex-2-en-1-ol
CID 20498954
(E)-1-pyrrolidin-2-yloct-1-en-3-ol
CID 21516672
(2-Methyl-1,2,3,6-tetrahydropyridin-4-yl)methanol
CID 21849676
1-Pyrrolidin-2-yloct-1-en-3-ol
CID 53990541
1-(1,2,3,6-Tetrahydropyridin-4-yl)ethanol
CID 53993002

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)cyclohex-2-en-1-ol?
The IUPAC name of 4-(methylamino)cyclohex-2-en-1-ol (CID 146504635) is 4-(methylamino)cyclohex-2-en-1-ol.
What is the SMILES notation for 4-(methylamino)cyclohex-2-en-1-ol?
The canonical SMILES for 4-(methylamino)cyclohex-2-en-1-ol is CNC1C=CC(O)CC1.
What is the InChIKey of 4-(methylamino)cyclohex-2-en-1-ol?
The InChIKey is PCFOCMRUQPPYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-6-2-4-7(9)5-3-6/h2,4,6-9H,3,5H2,1H3.
What are the key properties of 4-(methylamino)cyclohex-2-en-1-ol?
4-(methylamino)cyclohex-2-en-1-ol has a molecular weight of 127.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)cyclohex-2-en-1-ol is sourced from PubChem (CID 146504635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).