N-cyclohexyl-1-pyridin-3-yl-1-pyrrolidin-1-ylmethanimine

C16H23N3 — CID 11161217

IUPACN-cyclohexyl-1-pyridin-3-yl-1-pyrrolidin-1-ylmethanimine
SMILESc1cncc(/C(=N/C2CCCCC2)N2CCCC2)c1
InChIInChI=1S/C16H23N3/c1-2-8-15(9-3-1)18-16(19-11-4-5-12-19)14-7-6-10-17-13-14/h6-7,10,13,15H,1-5,8-9,11-12H2/b18-16-
InChIKeyOIUKBCYYDVWAQN-VLGSPTGOSA-N
MW257.38 g/mol
LogP3.26
Rot. Bonds2

About N-cyclohexyl-1-pyridin-3-yl-1-pyrrolidin-1-ylmethanimine

N-cyclohexyl-1-pyridin-3-yl-1-pyrrolidin-1-ylmethanimine (PubChem CID 11161217) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-cyclohexyl-1-pyridin-3-yl-1-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound NameN-cyclohexyl-1-pyridin-3-yl-1-pyrrolidin-1-ylmethanimine
PubChem CID11161217
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-cyclohexyl-1-pyridin-3-yl-1-pyrrolidin-1-ylmethanimine
SMILESc1cncc(/C(=N/C2CCCCC2)N2CCCC2)c1
InChIInChI=1S/C16H23N3/c1-2-8-15(9-3-1)18-16(19-11-4-5-12-19)14-7-6-10-17-13-14/h6-7,10,13,15H,1-5,8-9,11-12H2/b18-16-
InChIKeyOIUKBCYYDVWAQN-VLGSPTGOSA-N
XLogP3.26
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate
CID 16671359
1-pyridin-3-yl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 22925185
2-(2-piperidin-1-yl-2-pyridin-3-ylethenyl)pyridine
CID 4601342
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 122334551
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
2-cycloheptyl-1-pyridin-3-ylethanone
CID 114963158
(E)-3-cyclopentyl-1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 108924523
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979
1-[(4aR,9aR)-1-(pyridine-3-carbonyl)-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]ethanone
CID 110145133
(4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 119032862

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-pyridin-3-yl-1-pyrrolidin-1-ylmethanimine?
The IUPAC name of N-cyclohexyl-1-pyridin-3-yl-1-pyrrolidin-1-ylmethanimine (CID 11161217) is N-cyclohexyl-1-pyridin-3-yl-1-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for N-cyclohexyl-1-pyridin-3-yl-1-pyrrolidin-1-ylmethanimine?
The canonical SMILES for N-cyclohexyl-1-pyridin-3-yl-1-pyrrolidin-1-ylmethanimine is c1cncc(/C(=N/C2CCCCC2)N2CCCC2)c1.
What is the InChIKey of N-cyclohexyl-1-pyridin-3-yl-1-pyrrolidin-1-ylmethanimine?
The InChIKey is OIUKBCYYDVWAQN-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-8-15(9-3-1)18-16(19-11-4-5-12-19)14-7-6-10-17-13-14/h6-7,10,13,15H,1-5,8-9,11-12H2/b18-16-.
What are the key properties of N-cyclohexyl-1-pyridin-3-yl-1-pyrrolidin-1-ylmethanimine?
N-cyclohexyl-1-pyridin-3-yl-1-pyrrolidin-1-ylmethanimine has a molecular weight of 257.38 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-pyridin-3-yl-1-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 11161217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).