cyclopentyl-phenyl-[(1-propylazepan-2-ylidene)amino]methanol

C21H32N2O — CID 54243327

IUPACcyclopentyl-phenyl-[(1-propylazepan-2-ylidene)amino]methanol
SMILESCCCN1CCCCCC1=NC(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C21H32N2O/c1-2-16-23-17-10-4-7-15-20(23)22-21(24,19-13-8-9-14-19)18-11-5-3-6-12-18/h3,5-6,11-12,19,24H,2,4,7-10,13-17H2,1H3
InChIKeyQRNIAJOHWIEJQN-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.71
Rot. Bonds5

About cyclopentyl-phenyl-[(1-propylazepan-2-ylidene)amino]methanol

cyclopentyl-phenyl-[(1-propylazepan-2-ylidene)amino]methanol (PubChem CID 54243327) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is cyclopentyl-phenyl-[(1-propylazepan-2-ylidene)amino]methanol.

Molecular Properties

Compound Namecyclopentyl-phenyl-[(1-propylazepan-2-ylidene)amino]methanol
PubChem CID54243327
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Namecyclopentyl-phenyl-[(1-propylazepan-2-ylidene)amino]methanol
SMILESCCCN1CCCCCC1=NC(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C21H32N2O/c1-2-16-23-17-10-4-7-15-20(23)22-21(24,19-13-8-9-14-19)18-11-5-3-6-12-18/h3,5-6,11-12,19,24H,2,4,7-10,13-17H2,1H3
InChIKeyQRNIAJOHWIEJQN-UHFFFAOYSA-N
XLogP4.71
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-propylazepan-2-imine
CID 130445092
2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol
CID 4068699
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
CID 21127105
(1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol
CID 92573539
1-cyclohexyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
CID 24837075
1-butyl-N-(2-phenylcyclopentyl)azepan-2-imine
CID 21395118
(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
(1-butylazepan-4-yl)-diphenylmethanol
CID 21135914
4-(azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol;hydrochloride
CID 2915878
1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-2-yn-1-ol
CID 2835413
(1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
CID 750153
(NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide
CID 13373548

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-phenyl-[(1-propylazepan-2-ylidene)amino]methanol?
The IUPAC name of cyclopentyl-phenyl-[(1-propylazepan-2-ylidene)amino]methanol (CID 54243327) is cyclopentyl-phenyl-[(1-propylazepan-2-ylidene)amino]methanol.
What is the SMILES notation for cyclopentyl-phenyl-[(1-propylazepan-2-ylidene)amino]methanol?
The canonical SMILES for cyclopentyl-phenyl-[(1-propylazepan-2-ylidene)amino]methanol is CCCN1CCCCCC1=NC(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of cyclopentyl-phenyl-[(1-propylazepan-2-ylidene)amino]methanol?
The InChIKey is QRNIAJOHWIEJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-2-16-23-17-10-4-7-15-20(23)22-21(24,19-13-8-9-14-19)18-11-5-3-6-12-18/h3,5-6,11-12,19,24H,2,4,7-10,13-17H2,1H3.
What are the key properties of cyclopentyl-phenyl-[(1-propylazepan-2-ylidene)amino]methanol?
cyclopentyl-phenyl-[(1-propylazepan-2-ylidene)amino]methanol has a molecular weight of 328.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-phenyl-[(1-propylazepan-2-ylidene)amino]methanol is sourced from PubChem (CID 54243327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).