cyclohex-3-en-1-ylmethyl-methyl-prop-2-enylideneazanium

C11H18N+ — CID 137349817

IUPACcyclohex-3-en-1-ylmethyl-methyl-prop-2-enylideneazanium
SMILESC=C/C=[N+](\C)CC1CC=CCC1
InChIInChI=1S/C11H18N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h3-5,9,11H,1,6-8,10H2,2H3/q+1/b12-9+
InChIKeyJBWDRSYKLIXPFB-FMIVXFBMSA-N
MW164.27 g/mol
LogP2.24
Rot. Bonds3

About cyclohex-3-en-1-ylmethyl-methyl-prop-2-enylideneazanium

cyclohex-3-en-1-ylmethyl-methyl-prop-2-enylideneazanium (PubChem CID 137349817) has the molecular formula C11H18N+ and a molecular weight of 164.27 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethyl-methyl-prop-2-enylideneazanium.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethyl-methyl-prop-2-enylideneazanium
PubChem CID137349817
Molecular FormulaC11H18N+
Molecular Weight164.27 g/mol
Exact Mass164.14
IUPAC Namecyclohex-3-en-1-ylmethyl-methyl-prop-2-enylideneazanium
SMILESC=C/C=[N+](\C)CC1CC=CCC1
InChIInChI=1S/C11H18N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h3-5,9,11H,1,6-8,10H2,2H3/q+1/b12-9+
InChIKeyJBWDRSYKLIXPFB-FMIVXFBMSA-N
XLogP2.24
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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CID 89431580
[(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium
CID 118719153
2,6,9,9a-tetrahydro-1H-3-benzazepine
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2,3-Di(propan-2-yl)-2,3-dihydropyridine
CID 59427901
3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine
CID 89017608
3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine
CID 89063696
(Z,4S,5Z)-5-ethylidene-N,N,4-trimethyl-8-methyliminooct-6-en-1-amine
CID 89839678
3-Ethyl-1-methyl-2,3-dihydropyridin-1-ium
CID 123294262
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CID 123305578

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-ylmethyl-methyl-prop-2-enylideneazanium?
The IUPAC name of cyclohex-3-en-1-ylmethyl-methyl-prop-2-enylideneazanium (CID 137349817) is cyclohex-3-en-1-ylmethyl-methyl-prop-2-enylideneazanium.
What is the SMILES notation for cyclohex-3-en-1-ylmethyl-methyl-prop-2-enylideneazanium?
The canonical SMILES for cyclohex-3-en-1-ylmethyl-methyl-prop-2-enylideneazanium is C=C/C=[N+](\C)CC1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-ylmethyl-methyl-prop-2-enylideneazanium?
The InChIKey is JBWDRSYKLIXPFB-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H18N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h3-5,9,11H,1,6-8,10H2,2H3/q+1/b12-9+.
What are the key properties of cyclohex-3-en-1-ylmethyl-methyl-prop-2-enylideneazanium?
cyclohex-3-en-1-ylmethyl-methyl-prop-2-enylideneazanium has a molecular weight of 164.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-ylmethyl-methyl-prop-2-enylideneazanium is sourced from PubChem (CID 137349817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).