cis-(1S,2R)-2-[[[3-(dimethylamino)phenyl]methylideneamino]methyl]cyclohexan-1-ol

C16H24N2O — CID 101116795

IUPACcis-(1S,2R)-2-[[[3-(dimethylamino)phenyl]methylideneamino]methyl]cyclohexan-1-ol
SMILESCN(C)c1cccc(/C=N/C[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C16H24N2O/c1-18(2)15-8-5-6-13(10-15)11-17-12-14-7-3-4-9-16(14)19/h5-6,8,10-11,14,16,19H,3-4,7,9,12H2,1-2H3/b17-11+/t14-,16+/m1/s1
InChIKeyHWXIVYTZVDDQHM-FGNMZNBMSA-N
MW260.38 g/mol
LogP2.72
Rot. Bonds4

About cis-(1S,2R)-2-[[[3-(dimethylamino)phenyl]methylideneamino]methyl]cyclohexan-1-ol

cis-(1S,2R)-2-[[[3-(dimethylamino)phenyl]methylideneamino]methyl]cyclohexan-1-ol (PubChem CID 101116795) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[[3-(dimethylamino)phenyl]methylideneamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[[3-(dimethylamino)phenyl]methylideneamino]methyl]cyclohexan-1-ol
PubChem CID101116795
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Namecis-(1S,2R)-2-[[[3-(dimethylamino)phenyl]methylideneamino]methyl]cyclohexan-1-ol
SMILESCN(C)c1cccc(/C=N/C[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C16H24N2O/c1-18(2)15-8-5-6-13(10-15)11-17-12-14-7-3-4-9-16(14)19/h5-6,8,10-11,14,16,19H,3-4,7,9,12H2,1-2H3/b17-11+/t14-,16+/m1/s1
InChIKeyHWXIVYTZVDDQHM-FGNMZNBMSA-N
XLogP2.72
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[[3-(dimethylamino)phenyl]methylideneamino]methyl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[[[3-(dimethylamino)phenyl]methylideneamino]methyl]cyclohexan-1-ol (CID 101116795) is cis-(1S,2R)-2-[[[3-(dimethylamino)phenyl]methylideneamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[[[3-(dimethylamino)phenyl]methylideneamino]methyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[[[3-(dimethylamino)phenyl]methylideneamino]methyl]cyclohexan-1-ol is CN(C)c1cccc(/C=N/C[C@H]2CCCC[C@@H]2O)c1.
What is the InChIKey of cis-(1S,2R)-2-[[[3-(dimethylamino)phenyl]methylideneamino]methyl]cyclohexan-1-ol?
The InChIKey is HWXIVYTZVDDQHM-FGNMZNBMSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18(2)15-8-5-6-13(10-15)11-17-12-14-7-3-4-9-16(14)19/h5-6,8,10-11,14,16,19H,3-4,7,9,12H2,1-2H3/b17-11+/t14-,16+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[[3-(dimethylamino)phenyl]methylideneamino]methyl]cyclohexan-1-ol?
cis-(1S,2R)-2-[[[3-(dimethylamino)phenyl]methylideneamino]methyl]cyclohexan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[[3-(dimethylamino)phenyl]methylideneamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 101116795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).