2-[[(1S,3S)-3-(dimethylamino)-2,2,3-trimethylcyclopentyl]iminomethyl]phenol

C17H26N2O — CID 137098911

IUPAC2-[[(1S,3S)-3-(dimethylamino)-2,2,3-trimethylcyclopentyl]iminomethyl]phenol
SMILESCN(C)[C@@]1(C)CC[C@H](/N=C/c2ccccc2O)C1(C)C
InChIInChI=1S/C17H26N2O/c1-16(2)15(10-11-17(16,3)19(4)5)18-12-13-8-6-7-9-14(13)20/h6-9,12,15,20H,10-11H2,1-5H3/b18-12+/t15-,17-/m0/s1
InChIKeyKALCCFXTRWUMGG-YQMBXKBSSA-N
MW274.41 g/mol
LogP3.32
Rot. Bonds3

About 2-[[(1S,3S)-3-(dimethylamino)-2,2,3-trimethylcyclopentyl]iminomethyl]phenol

2-[[(1S,3S)-3-(dimethylamino)-2,2,3-trimethylcyclopentyl]iminomethyl]phenol (PubChem CID 137098911) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[[(1S,3S)-3-(dimethylamino)-2,2,3-trimethylcyclopentyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[(1S,3S)-3-(dimethylamino)-2,2,3-trimethylcyclopentyl]iminomethyl]phenol
PubChem CID137098911
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[[(1S,3S)-3-(dimethylamino)-2,2,3-trimethylcyclopentyl]iminomethyl]phenol
SMILESCN(C)[C@@]1(C)CC[C@H](/N=C/c2ccccc2O)C1(C)C
InChIInChI=1S/C17H26N2O/c1-16(2)15(10-11-17(16,3)19(4)5)18-12-13-8-6-7-9-14(13)20/h6-9,12,15,20H,10-11H2,1-5H3/b18-12+/t15-,17-/m0/s1
InChIKeyKALCCFXTRWUMGG-YQMBXKBSSA-N
XLogP3.32
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(1S,3S)-3-(dimethylamino)-2,2,3-trimethylcyclopentyl]iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1R,3R)-3-[(2-hydroxyphenyl)methylideneamino]-2,2,3-trimethylcyclopentyl]iminomethyl]phenol
CID 135544426
2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol
CID 137047925
2-(cyclopropyliminomethyl)phenol
CID 5242286
2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 135987838
copper;2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 135501676
2-[[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]iminomethyl]phenol
CID 162906862
copper;bis(2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)iminomethyl]phenol)
CID 5127710
2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol
CID 135513792
2-[[(3R)-1,1-dioxothiolan-3-yl]iminomethyl]phenol
CID 2407869
2-[(1,1-dioxothiolan-3-yl)iminomethyl]phenol
CID 5150731
zinc 2-(methyliminomethyl)phenol
CID 135422153
ethane;2-(methyliminomethyl)phenol
CID 136650397

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,3S)-3-(dimethylamino)-2,2,3-trimethylcyclopentyl]iminomethyl]phenol?
The IUPAC name of 2-[[(1S,3S)-3-(dimethylamino)-2,2,3-trimethylcyclopentyl]iminomethyl]phenol (CID 137098911) is 2-[[(1S,3S)-3-(dimethylamino)-2,2,3-trimethylcyclopentyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[(1S,3S)-3-(dimethylamino)-2,2,3-trimethylcyclopentyl]iminomethyl]phenol?
The canonical SMILES for 2-[[(1S,3S)-3-(dimethylamino)-2,2,3-trimethylcyclopentyl]iminomethyl]phenol is CN(C)[C@@]1(C)CC[C@H](/N=C/c2ccccc2O)C1(C)C.
What is the InChIKey of 2-[[(1S,3S)-3-(dimethylamino)-2,2,3-trimethylcyclopentyl]iminomethyl]phenol?
The InChIKey is KALCCFXTRWUMGG-YQMBXKBSSA-N. The full InChI is InChI=1S/C17H26N2O/c1-16(2)15(10-11-17(16,3)19(4)5)18-12-13-8-6-7-9-14(13)20/h6-9,12,15,20H,10-11H2,1-5H3/b18-12+/t15-,17-/m0/s1.
What are the key properties of 2-[[(1S,3S)-3-(dimethylamino)-2,2,3-trimethylcyclopentyl]iminomethyl]phenol?
2-[[(1S,3S)-3-(dimethylamino)-2,2,3-trimethylcyclopentyl]iminomethyl]phenol has a molecular weight of 274.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,3S)-3-(dimethylamino)-2,2,3-trimethylcyclopentyl]iminomethyl]phenol is sourced from PubChem (CID 137098911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).