2-(cyclohexylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol

C16H29NO — CID 103277738

IUPAC2-(cyclohexylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
SMILESCC1=CC(C)CC(C(CO)NC2CCCCC2)C1
InChIInChI=1S/C16H29NO/c1-12-8-13(2)10-14(9-12)16(11-18)17-15-6-4-3-5-7-15/h8,12,14-18H,3-7,9-11H2,1-2H3
InChIKeyPGMRBJPLFNKGRE-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.26
Rot. Bonds4

About 2-(cyclohexylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol

2-(cyclohexylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol (PubChem CID 103277738) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
PubChem CID103277738
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-(cyclohexylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
SMILESCC1=CC(C)CC(C(CO)NC2CCCCC2)C1
InChIInChI=1S/C16H29NO/c1-12-8-13(2)10-14(9-12)16(11-18)17-15-6-4-3-5-7-15/h8,12,14-18H,3-7,9-11H2,1-2H3
InChIKeyPGMRBJPLFNKGRE-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.26
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-(cyclohexylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
The IUPAC name of 2-(cyclohexylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol (CID 103277738) is 2-(cyclohexylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol.
What is the SMILES notation for 2-(cyclohexylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
The canonical SMILES for 2-(cyclohexylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol is CC1=CC(C)CC(C(CO)NC2CCCCC2)C1.
What is the InChIKey of 2-(cyclohexylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
The InChIKey is PGMRBJPLFNKGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-12-8-13(2)10-14(9-12)16(11-18)17-15-6-4-3-5-7-15/h8,12,14-18H,3-7,9-11H2,1-2H3.
What are the key properties of 2-(cyclohexylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
2-(cyclohexylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol has a molecular weight of 251.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol is sourced from PubChem (CID 103277738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).