N-cyclohexyl-1-cyclopenta-2,4-dien-1-ylmethanimine

C12H17N — CID 102157468

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

About N-cyclohexyl-1-cyclopenta-2,4-dien-1-ylmethanimine

N-cyclohexyl-1-cyclopenta-2,4-dien-1-ylmethanimine (PubChem CID 102157468) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N-cyclohexyl-1-cyclopenta-2,4-dien-1-ylmethanimine.

Molecular Properties

Compound NameN-cyclohexyl-1-cyclopenta-2,4-dien-1-ylmethanimine
PubChem CID102157468
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN-cyclohexyl-1-cyclopenta-2,4-dien-1-ylmethanimine
SMILESC1=CC(/C=N/C2CCCCC2)C=C1
InChIInChI=1S/C12H17N/c1-2-8-12(9-3-1)13-10-11-6-4-5-7-11/h4-7,10-12H,1-3,8-9H2/b13-10+
InChIKeyHWCPVZDYDUTBKP-JLHYYAGUSA-N
XLogP3.13
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 ≤ 53.13
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

N-cyclopentyl-1-(4-fluorocyclohexa-2,4-dien-1-yl)methanimine
CID 164133238
copper(1+);N-cyclohexyl-1-phenylmethanimine
CID 135046006
N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine
CID 18293350
2-(4-cyclohexa-1,5-dien-1-ylbut-1-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 134421514
N-cyclohexyl-1-[2-(cyclohexyliminomethyl)cyclopenta-2,4-dien-1-yl]methanimine
CID 6396320
lithium N-cyclohexyl-1-phenylmethanimine
CID 9990184
1-cyclopenta-2,4-dien-1-yl-N-[(2R)-pentan-2-yl]methanimine
CID 101780693
1-cyclopenta-2,4-dien-1-yl-N-[(2S)-pentan-2-yl]methanimine
CID 101780694
N-cyclohexyl-1-cyclopenta-1,2,4-trien-1-ylmethanimine
CID 177568855

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-cyclopenta-2,4-dien-1-ylmethanimine?
The IUPAC name of N-cyclohexyl-1-cyclopenta-2,4-dien-1-ylmethanimine (CID 102157468) is N-cyclohexyl-1-cyclopenta-2,4-dien-1-ylmethanimine.
What is the SMILES notation for N-cyclohexyl-1-cyclopenta-2,4-dien-1-ylmethanimine?
The canonical SMILES for N-cyclohexyl-1-cyclopenta-2,4-dien-1-ylmethanimine is C1=CC(/C=N/C2CCCCC2)C=C1.
What is the InChIKey of N-cyclohexyl-1-cyclopenta-2,4-dien-1-ylmethanimine?
The InChIKey is HWCPVZDYDUTBKP-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H17N/c1-2-8-12(9-3-1)13-10-11-6-4-5-7-11/h4-7,10-12H,1-3,8-9H2/b13-10+.
What are the key properties of N-cyclohexyl-1-cyclopenta-2,4-dien-1-ylmethanimine?
N-cyclohexyl-1-cyclopenta-2,4-dien-1-ylmethanimine has a molecular weight of 175.28 g/mol, XLogP of 3.13, 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-2,4-dien-1-ylmethanimine is sourced from PubChem (CID 102157468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).