(1S,2S,3R)-5-amino-2-methyl-2-nitroso-3-(2-phenylethyl)cyclohexan-1-ol

C15H22N2O2 — CID 89301410

IUPAC(1S,2S,3R)-5-amino-2-methyl-2-nitroso-3-(2-phenylethyl)cyclohexan-1-ol
SMILESC[C@]1(N=O)[C@H](CCc2ccccc2)CC(N)C[C@@H]1O
InChIInChI=1S/C15H22N2O2/c1-15(17-19)12(9-13(16)10-14(15)18)8-7-11-5-3-2-4-6-11/h2-6,12-14,18H,7-10,16H2,1H3/t12-,13?,14+,15+/m1/s1
InChIKeyVJGOJMFBQDJGMM-URLJDCLXSA-N
MW262.35 g/mol
LogP2.24
Rot. Bonds4

About (1S,2S,3R)-5-amino-2-methyl-2-nitroso-3-(2-phenylethyl)cyclohexan-1-ol

(1S,2S,3R)-5-amino-2-methyl-2-nitroso-3-(2-phenylethyl)cyclohexan-1-ol (PubChem CID 89301410) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (1S,2S,3R)-5-amino-2-methyl-2-nitroso-3-(2-phenylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,3R)-5-amino-2-methyl-2-nitroso-3-(2-phenylethyl)cyclohexan-1-ol
PubChem CID89301410
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(1S,2S,3R)-5-amino-2-methyl-2-nitroso-3-(2-phenylethyl)cyclohexan-1-ol
SMILESC[C@]1(N=O)[C@H](CCc2ccccc2)CC(N)C[C@@H]1O
InChIInChI=1S/C15H22N2O2/c1-15(17-19)12(9-13(16)10-14(15)18)8-7-11-5-3-2-4-6-11/h2-6,12-14,18H,7-10,16H2,1H3/t12-,13?,14+,15+/m1/s1
InChIKeyVJGOJMFBQDJGMM-URLJDCLXSA-N
XLogP2.24
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,2S,3R)-5-amino-2-methyl-2-nitroso-3-(2-phenylethyl)cyclohexan-1-ol with MolForge

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Related Compounds

(1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol
CID 71090567
(5R)-3-methoxy-4-methyl-4-nitro-5-(2-phenylethyl)cyclohexan-1-amine
CID 59879437
cis-(1S,3S)-1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate
CID 7054124
1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine
CID 80561805
3-amino-N-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide
CID 115161711
methyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentane-1-carboxylate
CID 2750766
methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate
CID 67920649
carbon monoxide;cobalt;2-(3-ethynyl-3-methylcyclobutyl)ethylbenzene
CID 11123722
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829
(2R)-6,6-dimethyl-2-(2-phenylethyl)-4,8-dioxaspiro[2.5]octane
CID 101015711
(1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol
CID 166640244
1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one
CID 107003801

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R)-5-amino-2-methyl-2-nitroso-3-(2-phenylethyl)cyclohexan-1-ol?
The IUPAC name of (1S,2S,3R)-5-amino-2-methyl-2-nitroso-3-(2-phenylethyl)cyclohexan-1-ol (CID 89301410) is (1S,2S,3R)-5-amino-2-methyl-2-nitroso-3-(2-phenylethyl)cyclohexan-1-ol.
What is the SMILES notation for (1S,2S,3R)-5-amino-2-methyl-2-nitroso-3-(2-phenylethyl)cyclohexan-1-ol?
The canonical SMILES for (1S,2S,3R)-5-amino-2-methyl-2-nitroso-3-(2-phenylethyl)cyclohexan-1-ol is C[C@]1(N=O)[C@H](CCc2ccccc2)CC(N)C[C@@H]1O.
What is the InChIKey of (1S,2S,3R)-5-amino-2-methyl-2-nitroso-3-(2-phenylethyl)cyclohexan-1-ol?
The InChIKey is VJGOJMFBQDJGMM-URLJDCLXSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(17-19)12(9-13(16)10-14(15)18)8-7-11-5-3-2-4-6-11/h2-6,12-14,18H,7-10,16H2,1H3/t12-,13?,14+,15+/m1/s1.
What are the key properties of (1S,2S,3R)-5-amino-2-methyl-2-nitroso-3-(2-phenylethyl)cyclohexan-1-ol?
(1S,2S,3R)-5-amino-2-methyl-2-nitroso-3-(2-phenylethyl)cyclohexan-1-ol has a molecular weight of 262.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R)-5-amino-2-methyl-2-nitroso-3-(2-phenylethyl)cyclohexan-1-ol is sourced from PubChem (CID 89301410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).