1-[1-(dimethylamino)-4-methylcyclohexyl]-3-methylbut-3-en-1-ol

C14H27NO — CID 79177815

IUPAC1-[1-(dimethylamino)-4-methylcyclohexyl]-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(O)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C14H27NO/c1-11(2)10-13(16)14(15(4)5)8-6-12(3)7-9-14/h12-13,16H,1,6-10H2,2-5H3
InChIKeyVIJSTUVTJFLMOE-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.82
Rot. Bonds4

About 1-[1-(dimethylamino)-4-methylcyclohexyl]-3-methylbut-3-en-1-ol

1-[1-(dimethylamino)-4-methylcyclohexyl]-3-methylbut-3-en-1-ol (PubChem CID 79177815) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-4-methylcyclohexyl]-3-methylbut-3-en-1-ol.

Molecular Properties

Compound Name1-[1-(dimethylamino)-4-methylcyclohexyl]-3-methylbut-3-en-1-ol
PubChem CID79177815
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[1-(dimethylamino)-4-methylcyclohexyl]-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(O)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C14H27NO/c1-11(2)10-13(16)14(15(4)5)8-6-12(3)7-9-14/h12-13,16H,1,6-10H2,2-5H3
InChIKeyVIJSTUVTJFLMOE-UHFFFAOYSA-N
XLogP2.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.82
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 1-[1-(dimethylamino)-4-methylcyclohexyl]-3-methylbut-3-en-1-ol?
The IUPAC name of 1-[1-(dimethylamino)-4-methylcyclohexyl]-3-methylbut-3-en-1-ol (CID 79177815) is 1-[1-(dimethylamino)-4-methylcyclohexyl]-3-methylbut-3-en-1-ol.
What is the SMILES notation for 1-[1-(dimethylamino)-4-methylcyclohexyl]-3-methylbut-3-en-1-ol?
The canonical SMILES for 1-[1-(dimethylamino)-4-methylcyclohexyl]-3-methylbut-3-en-1-ol is C=C(C)CC(O)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of 1-[1-(dimethylamino)-4-methylcyclohexyl]-3-methylbut-3-en-1-ol?
The InChIKey is VIJSTUVTJFLMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)10-13(16)14(15(4)5)8-6-12(3)7-9-14/h12-13,16H,1,6-10H2,2-5H3.
What are the key properties of 1-[1-(dimethylamino)-4-methylcyclohexyl]-3-methylbut-3-en-1-ol?
1-[1-(dimethylamino)-4-methylcyclohexyl]-3-methylbut-3-en-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-4-methylcyclohexyl]-3-methylbut-3-en-1-ol is sourced from PubChem (CID 79177815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).