N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine

C12H17N — CID 18293350

IUPACN-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine
SMILESC1=CCC(/C=N/C2CCCCC2)=C1
InChIInChI=1S/C12H17N/c1-2-8-12(9-3-1)13-10-11-6-4-5-7-11/h4-6,10,12H,1-3,7-9H2/b13-10+
InChIKeyYSIQLOWWYZKNFG-JLHYYAGUSA-N
MW175.28 g/mol
LogP3.28
Rot. Bonds2

About N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine

N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine (PubChem CID 18293350) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine.

Molecular Properties

Compound NameN-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine
PubChem CID18293350
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine
SMILESC1=CCC(/C=N/C2CCCCC2)=C1
InChIInChI=1S/C12H17N/c1-2-8-12(9-3-1)13-10-11-6-4-5-7-11/h4-6,10,12H,1-3,7-9H2/b13-10+
InChIKeyYSIQLOWWYZKNFG-JLHYYAGUSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclohexyl-2-ethylbut-2-en-1-imine
CID 127262357
copper(1+);N-cyclohexyl-1-phenylmethanimine
CID 135046006
(E)-N-cyclohexyl-2-ethylhept-2-en-1-imine
CID 23394363
N-cyclohexyl-2-ethylhept-2-en-1-imine
CID 74047303
7,7a-dihydro-3H-indole
CID 91394857
5-[(4-methylcyclohexa-1,3-dien-1-yl)methylidene]-3,4-dihydro-2H-pyridine
CID 123572762
N-(2-cyclohexa-1,3-dien-1-ylethyl)-1-[4-(2-cyclohexa-1,5-dien-1-ylethyliminomethyl)cyclopenta-1,3-dien-1-yl]methanimine
CID 130370022
2-(4-cyclohexa-1,5-dien-1-ylbut-1-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 134421514
4-buta-1,3-dien-2-yl-2-butyl-2H-pyrrole
CID 138649012
N-[4,5,6-tri(ethylidene)cyclohex-2-en-1-yl]ethanimine
CID 141744532
ethane;(4Z,5E)-5-ethylidene-4-prop-2-enylidene-2,3-dihydropyridine
CID 143030943
(4Z,5E)-4,5-di(ethylidene)-2,3-dihydropyridine;ethane
CID 143531525

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine?
The IUPAC name of N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine (CID 18293350) is N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine.
What is the SMILES notation for N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine?
The canonical SMILES for N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine is C1=CCC(/C=N/C2CCCCC2)=C1.
What is the InChIKey of N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine?
The InChIKey is YSIQLOWWYZKNFG-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H17N/c1-2-8-12(9-3-1)13-10-11-6-4-5-7-11/h4-6,10,12H,1-3,7-9H2/b13-10+.
What are the key properties of N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine?
N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine has a molecular weight of 175.28 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine is sourced from PubChem (CID 18293350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).