1-[1-(dimethylamino)-4-methylcyclohexyl]-4-methylpent-4-en-1-ol

C15H29NO — CID 114473947

IUPAC1-[1-(dimethylamino)-4-methylcyclohexyl]-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C15H29NO/c1-12(2)6-7-14(17)15(16(4)5)10-8-13(3)9-11-15/h13-14,17H,1,6-11H2,2-5H3
InChIKeyNOLZFRSCHKDXMH-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.21
Rot. Bonds5

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

1-[1-(dimethylamino)-4-methylcyclohexyl]-4-methylpent-4-en-1-ol (PubChem CID 114473947) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-4-methylcyclohexyl]-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name1-[1-(dimethylamino)-4-methylcyclohexyl]-4-methylpent-4-en-1-ol
PubChem CID114473947
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[1-(dimethylamino)-4-methylcyclohexyl]-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C15H29NO/c1-12(2)6-7-14(17)15(16(4)5)10-8-13(3)9-11-15/h13-14,17H,1,6-11H2,2-5H3
InChIKeyNOLZFRSCHKDXMH-UHFFFAOYSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.21
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]-4-methylpent-4-en-1-ol?
The IUPAC name of 1-[1-(dimethylamino)-4-methylcyclohexyl]-4-methylpent-4-en-1-ol (CID 114473947) is 1-[1-(dimethylamino)-4-methylcyclohexyl]-4-methylpent-4-en-1-ol.
What is the SMILES notation for 1-[1-(dimethylamino)-4-methylcyclohexyl]-4-methylpent-4-en-1-ol?
The canonical SMILES for 1-[1-(dimethylamino)-4-methylcyclohexyl]-4-methylpent-4-en-1-ol is C=C(C)CCC(O)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of 1-[1-(dimethylamino)-4-methylcyclohexyl]-4-methylpent-4-en-1-ol?
The InChIKey is NOLZFRSCHKDXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)6-7-14(17)15(16(4)5)10-8-13(3)9-11-15/h13-14,17H,1,6-11H2,2-5H3.
What are the key properties of 1-[1-(dimethylamino)-4-methylcyclohexyl]-4-methylpent-4-en-1-ol?
1-[1-(dimethylamino)-4-methylcyclohexyl]-4-methylpent-4-en-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.21, 5 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]-4-methylpent-4-en-1-ol is sourced from PubChem (CID 114473947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).