(1S,2R)-1-[(1S)-cyclohex-2-en-1-yl]-2-(methylamino)propan-1-ol

C10H19NO — CID 163797363

IUPAC(1S,2R)-1-[(1S)-cyclohex-2-en-1-yl]-2-(methylamino)propan-1-ol
SMILESCN[C@H](C)[C@@H](O)[C@@H]1C=CCCC1
InChIInChI=1S/C10H19NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h4,6,8-12H,3,5,7H2,1-2H3/t8-,9-,10-/m1/s1
InChIKeyNBZICWKOFQLCLW-OPRDCNLKSA-N
MW169.27 g/mol
LogP1.31
Rot. Bonds3

About (1S,2R)-1-[(1S)-cyclohex-2-en-1-yl]-2-(methylamino)propan-1-ol

(1S,2R)-1-[(1S)-cyclohex-2-en-1-yl]-2-(methylamino)propan-1-ol (PubChem CID 163797363) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1S,2R)-1-[(1S)-cyclohex-2-en-1-yl]-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-[(1S)-cyclohex-2-en-1-yl]-2-(methylamino)propan-1-ol
PubChem CID163797363
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1S,2R)-1-[(1S)-cyclohex-2-en-1-yl]-2-(methylamino)propan-1-ol
SMILESCN[C@H](C)[C@@H](O)[C@@H]1C=CCCC1
InChIInChI=1S/C10H19NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h4,6,8-12H,3,5,7H2,1-2H3/t8-,9-,10-/m1/s1
InChIKeyNBZICWKOFQLCLW-OPRDCNLKSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.31
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

(4z)-8-(Methylamino)cyclooct-4-en-1-ol
CID 12379044
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CID 129629514
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CID 129629515
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2-(Cyclohex-3-en-1-ylmethylamino)-2-methylpentan-1-ol
CID 75387507
1-[(2-Methylcyclohexyl)amino]hex-5-EN-2-OL
CID 86797547
(2S)-3-(4-fluorocyclohexa-2,4-dien-1-yl)-2-(methylamino)propan-1-ol
CID 70320951
m-Hydroxypseudoephedrine
CID 129705379
1-Cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol
CID 134924288
2-(Tert-butylamino)-1-cyclohex-3-en-1-ylethanol
CID 134986213
1-(2-Bicyclo[2.2.1]hept-5-enylamino)hexan-2-ol
CID 20649851
2-(2-Bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol
CID 20649894

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[(1S)-cyclohex-2-en-1-yl]-2-(methylamino)propan-1-ol?
The IUPAC name of (1S,2R)-1-[(1S)-cyclohex-2-en-1-yl]-2-(methylamino)propan-1-ol (CID 163797363) is (1S,2R)-1-[(1S)-cyclohex-2-en-1-yl]-2-(methylamino)propan-1-ol.
What is the SMILES notation for (1S,2R)-1-[(1S)-cyclohex-2-en-1-yl]-2-(methylamino)propan-1-ol?
The canonical SMILES for (1S,2R)-1-[(1S)-cyclohex-2-en-1-yl]-2-(methylamino)propan-1-ol is CN[C@H](C)[C@@H](O)[C@@H]1C=CCCC1.
What is the InChIKey of (1S,2R)-1-[(1S)-cyclohex-2-en-1-yl]-2-(methylamino)propan-1-ol?
The InChIKey is NBZICWKOFQLCLW-OPRDCNLKSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h4,6,8-12H,3,5,7H2,1-2H3/t8-,9-,10-/m1/s1.
What are the key properties of (1S,2R)-1-[(1S)-cyclohex-2-en-1-yl]-2-(methylamino)propan-1-ol?
(1S,2R)-1-[(1S)-cyclohex-2-en-1-yl]-2-(methylamino)propan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[(1S)-cyclohex-2-en-1-yl]-2-(methylamino)propan-1-ol is sourced from PubChem (CID 163797363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).