2-(2-cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol

C15H29NO — CID 69309809

IUPAC2-(2-cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol
SMILESCC(C)CCC(CO)NCCC1C=CCCC1
InChIInChI=1S/C15H29NO/c1-13(2)8-9-15(12-17)16-11-10-14-6-4-3-5-7-14/h4,6,13-17H,3,5,7-12H2,1-2H3
InChIKeyDIIHWSRDAKROIP-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.12
Rot. Bonds8

About 2-(2-cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol

2-(2-cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol (PubChem CID 69309809) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-(2-cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol.

Molecular Properties

Compound Name2-(2-cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol
PubChem CID69309809
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-(2-cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol
SMILESCC(C)CCC(CO)NCCC1C=CCCC1
InChIInChI=1S/C15H29NO/c1-13(2)8-9-15(12-17)16-11-10-14-6-4-3-5-7-14/h4,6,13-17H,3,5,7-12H2,1-2H3
InChIKeyDIIHWSRDAKROIP-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.12
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 2-(2-cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol?
The IUPAC name of 2-(2-cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol (CID 69309809) is 2-(2-cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol.
What is the SMILES notation for 2-(2-cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol?
The canonical SMILES for 2-(2-cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol is CC(C)CCC(CO)NCCC1C=CCCC1.
What is the InChIKey of 2-(2-cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol?
The InChIKey is DIIHWSRDAKROIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(2)8-9-15(12-17)16-11-10-14-6-4-3-5-7-14/h4,6,13-17H,3,5,7-12H2,1-2H3.
What are the key properties of 2-(2-cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol?
2-(2-cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol is sourced from PubChem (CID 69309809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).