2-[(dimethylamino)methyl]-4-prop-1-en-2-ylcyclohexan-1-ol

C12H23NO — CID 70119011

IUPAC2-[(dimethylamino)methyl]-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1CCC(O)C(CN(C)C)C1
InChIInChI=1S/C12H23NO/c1-9(2)10-5-6-12(14)11(7-10)8-13(3)4/h10-12,14H,1,5-8H2,2-4H3
InChIKeyPQDAVSSWOPJBLH-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.90
Rot. Bonds3

About 2-[(dimethylamino)methyl]-4-prop-1-en-2-ylcyclohexan-1-ol

2-[(dimethylamino)methyl]-4-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 70119011) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID70119011
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[(dimethylamino)methyl]-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1CCC(O)C(CN(C)C)C1
InChIInChI=1S/C12H23NO/c1-9(2)10-5-6-12(14)11(7-10)8-13(3)4/h10-12,14H,1,5-8H2,2-4H3
InChIKeyPQDAVSSWOPJBLH-UHFFFAOYSA-N
XLogP1.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
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 2-[(dimethylamino)methyl]-4-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-4-prop-1-en-2-ylcyclohexan-1-ol (CID 70119011) is 2-[(dimethylamino)methyl]-4-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)C1CCC(O)C(CN(C)C)C1.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is PQDAVSSWOPJBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)10-5-6-12(14)11(7-10)8-13(3)4/h10-12,14H,1,5-8H2,2-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-prop-1-en-2-ylcyclohexan-1-ol?
2-[(dimethylamino)methyl]-4-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 70119011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).