cyclohexyl-(3-phenylpyrrolidin-1-yl)methanimine

C17H24N2 — CID 63175688

IUPACcyclohexyl-(3-phenylpyrrolidin-1-yl)methanimine
SMILES[H]/N=C(\C1CCCCC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H24N2/c18-17(15-9-5-2-6-10-15)19-12-11-16(13-19)14-7-3-1-4-8-14/h1,3-4,7-8,15-16,18H,2,5-6,9-13H2/b18-17+
InChIKeyFILLQQJKMZBNCP-ISLYRVAYSA-N
MW256.39 g/mol
LogP4.03
Rot. Bonds2

About cyclohexyl-(3-phenylpyrrolidin-1-yl)methanimine

cyclohexyl-(3-phenylpyrrolidin-1-yl)methanimine (PubChem CID 63175688) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is cyclohexyl-(3-phenylpyrrolidin-1-yl)methanimine.

Molecular Properties

Compound Namecyclohexyl-(3-phenylpyrrolidin-1-yl)methanimine
PubChem CID63175688
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Namecyclohexyl-(3-phenylpyrrolidin-1-yl)methanimine
SMILES[H]/N=C(\C1CCCCC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H24N2/c18-17(15-9-5-2-6-10-15)19-12-11-16(13-19)14-7-3-1-4-8-14/h1,3-4,7-8,15-16,18H,2,5-6,9-13H2/b18-17+
InChIKeyFILLQQJKMZBNCP-ISLYRVAYSA-N
XLogP4.03
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

cyclopentyl-(4-phenylpiperazin-1-yl)methanimine
CID 63178479
(4-benzylpiperazin-1-yl)-cyclohexylmethanimine
CID 63178264
2-cyclohexyl-1-(3-phenylpyrrolidin-1-yl)ethanethione
CID 158434350
(3S)-N-methyl-3-phenylpyrrolidine-1-carbothioamide
CID 134367750
5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688432
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
trans-(1R,3R)-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124778341
N-(2-chlorophenyl)-3-phenylpyrrolidine-1-carbothioamide
CID 5066117
piperidin-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanimine
CID 65404688
4-oxo-4-(3-phenylpyrrolidin-1-yl)but-2-enoic acid
CID 74894511
(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 5331349
[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride
CID 161457507

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3-phenylpyrrolidin-1-yl)methanimine?
The IUPAC name of cyclohexyl-(3-phenylpyrrolidin-1-yl)methanimine (CID 63175688) is cyclohexyl-(3-phenylpyrrolidin-1-yl)methanimine.
What is the SMILES notation for cyclohexyl-(3-phenylpyrrolidin-1-yl)methanimine?
The canonical SMILES for cyclohexyl-(3-phenylpyrrolidin-1-yl)methanimine is [H]/N=C(\C1CCCCC1)N1CCC(c2ccccc2)C1.
What is the InChIKey of cyclohexyl-(3-phenylpyrrolidin-1-yl)methanimine?
The InChIKey is FILLQQJKMZBNCP-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H24N2/c18-17(15-9-5-2-6-10-15)19-12-11-16(13-19)14-7-3-1-4-8-14/h1,3-4,7-8,15-16,18H,2,5-6,9-13H2/b18-17+.
What are the key properties of cyclohexyl-(3-phenylpyrrolidin-1-yl)methanimine?
cyclohexyl-(3-phenylpyrrolidin-1-yl)methanimine has a molecular weight of 256.39 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3-phenylpyrrolidin-1-yl)methanimine is sourced from PubChem (CID 63175688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).