2-(benzylamino)-2-cyclohex-3-en-1-ylethanol

C15H21NO — CID 61046548

IUPAC2-(benzylamino)-2-cyclohex-3-en-1-ylethanol
SMILESOCC(NCc1ccccc1)C1CC=CCC1
InChIInChI=1S/C15H21NO/c17-12-15(14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-5,7-8,14-17H,6,9-12H2
InChIKeyHVILLATUQPXKJH-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.49
Rot. Bonds5

About 2-(benzylamino)-2-cyclohex-3-en-1-ylethanol

2-(benzylamino)-2-cyclohex-3-en-1-ylethanol (PubChem CID 61046548) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(benzylamino)-2-cyclohex-3-en-1-ylethanol.

Molecular Properties

Compound Name2-(benzylamino)-2-cyclohex-3-en-1-ylethanol
PubChem CID61046548
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(benzylamino)-2-cyclohex-3-en-1-ylethanol
SMILESOCC(NCc1ccccc1)C1CC=CCC1
InChIInChI=1S/C15H21NO/c17-12-15(14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-5,7-8,14-17H,6,9-12H2
InChIKeyHVILLATUQPXKJH-UHFFFAOYSA-N
XLogP2.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-cyclohex-3-en-1-yl-2-phenylethyl)amino]ethanol;hydrochloride
CID 54601250
2-(benzylamino)-2-(4-tert-butylcyclohexyl)ethanol
CID 104575780
(3S)-3-[(1S)-cyclohex-3-en-1-yl]-3-(phenylmethoxycarbonylamino)propanoic acid
CID 93481111
(2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol
CID 102610116
N-benzyl-1-cyclopropyl-2,2-difluoroethanamine
CID 131114338
methyl 3-(benzylamino)-3-cyclopropylpropanoate
CID 134161981
N-(1-hydroxy-3-phenylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 63261072
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 107861462
(1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine
CID 10922765
(1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol
CID 102217580
(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol
CID 107862540
N-benzyl-1-cyclopropyl-2,2,2-trifluoroethanamine
CID 121208219

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-cyclohex-3-en-1-ylethanol?
The IUPAC name of 2-(benzylamino)-2-cyclohex-3-en-1-ylethanol (CID 61046548) is 2-(benzylamino)-2-cyclohex-3-en-1-ylethanol.
What is the SMILES notation for 2-(benzylamino)-2-cyclohex-3-en-1-ylethanol?
The canonical SMILES for 2-(benzylamino)-2-cyclohex-3-en-1-ylethanol is OCC(NCc1ccccc1)C1CC=CCC1.
What is the InChIKey of 2-(benzylamino)-2-cyclohex-3-en-1-ylethanol?
The InChIKey is HVILLATUQPXKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-12-15(14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-5,7-8,14-17H,6,9-12H2.
What are the key properties of 2-(benzylamino)-2-cyclohex-3-en-1-ylethanol?
2-(benzylamino)-2-cyclohex-3-en-1-ylethanol has a molecular weight of 231.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-cyclohex-3-en-1-ylethanol is sourced from PubChem (CID 61046548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).