1-methyl-4-prop-1-en-2-yl-2-(prop-2-enylamino)cyclohexan-1-ol

C13H23NO — CID 70136490

IUPAC1-methyl-4-prop-1-en-2-yl-2-(prop-2-enylamino)cyclohexan-1-ol
SMILESC=CCNC1CC(C(=C)C)CCC1(C)O
InChIInChI=1S/C13H23NO/c1-5-8-14-12-9-11(10(2)3)6-7-13(12,4)15/h5,11-12,14-15H,1-2,6-9H2,3-4H3
InChIKeyCFBWLFVCXCXKMM-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.26
Rot. Bonds4

About 1-methyl-4-prop-1-en-2-yl-2-(prop-2-enylamino)cyclohexan-1-ol

1-methyl-4-prop-1-en-2-yl-2-(prop-2-enylamino)cyclohexan-1-ol (PubChem CID 70136490) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-methyl-4-prop-1-en-2-yl-2-(prop-2-enylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-methyl-4-prop-1-en-2-yl-2-(prop-2-enylamino)cyclohexan-1-ol
PubChem CID70136490
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-methyl-4-prop-1-en-2-yl-2-(prop-2-enylamino)cyclohexan-1-ol
SMILESC=CCNC1CC(C(=C)C)CCC1(C)O
InChIInChI=1S/C13H23NO/c1-5-8-14-12-9-11(10(2)3)6-7-13(12,4)15/h5,11-12,14-15H,1-2,6-9H2,3-4H3
InChIKeyCFBWLFVCXCXKMM-UHFFFAOYSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.26
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 1-methyl-4-prop-1-en-2-yl-2-(prop-2-enylamino)cyclohexan-1-ol?
The IUPAC name of 1-methyl-4-prop-1-en-2-yl-2-(prop-2-enylamino)cyclohexan-1-ol (CID 70136490) is 1-methyl-4-prop-1-en-2-yl-2-(prop-2-enylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-methyl-4-prop-1-en-2-yl-2-(prop-2-enylamino)cyclohexan-1-ol?
The canonical SMILES for 1-methyl-4-prop-1-en-2-yl-2-(prop-2-enylamino)cyclohexan-1-ol is C=CCNC1CC(C(=C)C)CCC1(C)O.
What is the InChIKey of 1-methyl-4-prop-1-en-2-yl-2-(prop-2-enylamino)cyclohexan-1-ol?
The InChIKey is CFBWLFVCXCXKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-8-14-12-9-11(10(2)3)6-7-13(12,4)15/h5,11-12,14-15H,1-2,6-9H2,3-4H3.
What are the key properties of 1-methyl-4-prop-1-en-2-yl-2-(prop-2-enylamino)cyclohexan-1-ol?
1-methyl-4-prop-1-en-2-yl-2-(prop-2-enylamino)cyclohexan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-1-en-2-yl-2-(prop-2-enylamino)cyclohexan-1-ol is sourced from PubChem (CID 70136490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).