(1-phenylcyclohexyl)-pyrrolidin-1-ylmethanimine

C17H24N2 — CID 63179177

IUPAC(1-phenylcyclohexyl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCC1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C17H24N2/c18-16(19-13-7-8-14-19)17(11-5-2-6-12-17)15-9-3-1-4-10-15/h1,3-4,9-10,18H,2,5-8,11-14H2/b18-16-
InChIKeyHDIVGQRPOZONND-VLGSPTGOSA-N
MW256.39 g/mol
LogP3.96
Rot. Bonds2

About (1-phenylcyclohexyl)-pyrrolidin-1-ylmethanimine

(1-phenylcyclohexyl)-pyrrolidin-1-ylmethanimine (PubChem CID 63179177) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (1-phenylcyclohexyl)-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound Name(1-phenylcyclohexyl)-pyrrolidin-1-ylmethanimine
PubChem CID63179177
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(1-phenylcyclohexyl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCC1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C17H24N2/c18-16(19-13-7-8-14-19)17(11-5-2-6-12-17)15-9-3-1-4-10-15/h1,3-4,9-10,18H,2,5-8,11-14H2/b18-16-
InChIKeyHDIVGQRPOZONND-VLGSPTGOSA-N
XLogP3.96
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 ≤ 53.96
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

(1-phenylcyclobutyl)-piperidin-1-ylmethanimine
CID 63179669
3,3-diphenyl-2-(piperidine-1-carboximidoyl)oxirane-2-carbonitrile
CID 10449382
1-(1-phenylcyclobutyl)ethanimine
CID 58488751
1-phenylcyclobutane-1-carboximidamide
CID 46941849
N,N-dimethyl-1-phenylcyclopentane-1-carboximidamide
CID 63179364
2-imino-1-(1-phenylcyclohexyl)ethanone
CID 90858515
1-[2-(1-phenylcyclopentyl)prop-2-enyl]piperidine
CID 130330382
3-oxo-2-(1-phenylcyclohexyl)-3-piperidin-1-ylpropanoic acid
CID 173102704
N,N-diethyl-1-phenylcyclobutane-1-carboximidamide
CID 63179800
ethyl 1-phenylcyclobutane-1-carboximidate
CID 63079703
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclohexyl)-pyrrolidin-1-ylmethanimine?
The IUPAC name of (1-phenylcyclohexyl)-pyrrolidin-1-ylmethanimine (CID 63179177) is (1-phenylcyclohexyl)-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for (1-phenylcyclohexyl)-pyrrolidin-1-ylmethanimine?
The canonical SMILES for (1-phenylcyclohexyl)-pyrrolidin-1-ylmethanimine is [H]/N=C(\N1CCCC1)C1(c2ccccc2)CCCCC1.
What is the InChIKey of (1-phenylcyclohexyl)-pyrrolidin-1-ylmethanimine?
The InChIKey is HDIVGQRPOZONND-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H24N2/c18-16(19-13-7-8-14-19)17(11-5-2-6-12-17)15-9-3-1-4-10-15/h1,3-4,9-10,18H,2,5-8,11-14H2/b18-16-.
What are the key properties of (1-phenylcyclohexyl)-pyrrolidin-1-ylmethanimine?
(1-phenylcyclohexyl)-pyrrolidin-1-ylmethanimine has a molecular weight of 256.39 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclohexyl)-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 63179177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).