(1R,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol

C15H21NO — CID 7155137

IUPAC(1R,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol
SMILESC=C[C@H]1CC[C@@H](O)[C@H](NCc2ccccc2)C1
InChIInChI=1S/C15H21NO/c1-2-12-8-9-15(17)14(10-12)16-11-13-6-4-3-5-7-13/h2-7,12,14-17H,1,8-11H2/t12-,14+,15+/m0/s1
InChIKeyFRKITRFPSKWDEJ-NWANDNLSSA-N
MW231.34 g/mol
LogP2.49
Rot. Bonds4

About (1R,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol

(1R,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol (PubChem CID 7155137) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (1R,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol
PubChem CID7155137
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(1R,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol
SMILESC=C[C@H]1CC[C@@H](O)[C@H](NCc2ccccc2)C1
InChIInChI=1S/C15H21NO/c1-2-12-8-9-15(17)14(10-12)16-11-13-6-4-3-5-7-13/h2-7,12,14-17H,1,8-11H2/t12-,14+,15+/m0/s1
InChIKeyFRKITRFPSKWDEJ-NWANDNLSSA-N
XLogP2.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

(1S,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol
CID 7155133
(1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol
CID 163753125
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
2-(benzylamino)cyclopentane-1,3-diol
CID 57123230
(1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine
CID 155210583
2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
CID 149139761
(1R,2R,3R,4R,6R)-4-(benzylamino)-6-methylcyclohexane-1,2,3-triol
CID 101200286
trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine
CID 122225965
trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine
CID 174043100
2-(pyridin-4-ylmethylamino)cyclobutan-1-ol
CID 126856533
2-[(1R,2S)-2-(benzylamino)cyclopropyl]acetic acid
CID 102492755

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol?
The IUPAC name of (1R,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol (CID 7155137) is (1R,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol.
What is the SMILES notation for (1R,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol?
The canonical SMILES for (1R,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol is C=C[C@H]1CC[C@@H](O)[C@H](NCc2ccccc2)C1.
What is the InChIKey of (1R,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol?
The InChIKey is FRKITRFPSKWDEJ-NWANDNLSSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-12-8-9-15(17)14(10-12)16-11-13-6-4-3-5-7-13/h2-7,12,14-17H,1,8-11H2/t12-,14+,15+/m0/s1.
What are the key properties of (1R,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol?
(1R,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol is sourced from PubChem (CID 7155137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).