5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpentan-1-ol

C15H29NO — CID 114151645

IUPAC5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpentan-1-ol
SMILESCC1=CC(C)CC(CNCCCC(C)CO)C1
InChIInChI=1S/C15H29NO/c1-12(11-17)5-4-6-16-10-15-8-13(2)7-14(3)9-15/h7,12-13,15-17H,4-6,8-11H2,1-3H3
InChIKeyJBNYQYPVQYBWRU-UHFFFAOYSA-N
MW239.40 g/mol
LogP2.98
Rot. Bonds7

About 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpentan-1-ol

5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpentan-1-ol (PubChem CID 114151645) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpentan-1-ol
PubChem CID114151645
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpentan-1-ol
SMILESCC1=CC(C)CC(CNCCCC(C)CO)C1
InChIInChI=1S/C15H29NO/c1-12(11-17)5-4-6-16-10-15-8-13(2)7-14(3)9-15/h7,12-13,15-17H,4-6,8-11H2,1-3H3
InChIKeyJBNYQYPVQYBWRU-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpentan-1-ol (CID 114151645) is 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpentan-1-ol is CC1=CC(C)CC(CNCCCC(C)CO)C1.
What is the InChIKey of 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpentan-1-ol?
The InChIKey is JBNYQYPVQYBWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(11-17)5-4-6-16-10-15-8-13(2)7-14(3)9-15/h7,12-13,15-17H,4-6,8-11H2,1-3H3.
What are the key properties of 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpentan-1-ol?
5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpentan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 114151645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).