N-(cyclohex-2-en-1-ylmethyl)methanimine

C8H13N — CID 163609342

IUPACN-(cyclohex-2-en-1-ylmethyl)methanimine
SMILESC=NCC1C=CCCC1
InChIInChI=1S/C8H13N/c1-9-7-8-5-3-2-4-6-8/h3,5,8H,1-2,4,6-7H2
InChIKeyHENYGMPTNDWADS-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.04
Rot. Bonds2

About N-(cyclohex-2-en-1-ylmethyl)methanimine

N-(cyclohex-2-en-1-ylmethyl)methanimine (PubChem CID 163609342) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-(cyclohex-2-en-1-ylmethyl)methanimine.

Molecular Properties

Compound NameN-(cyclohex-2-en-1-ylmethyl)methanimine
PubChem CID163609342
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-(cyclohex-2-en-1-ylmethyl)methanimine
SMILESC=NCC1C=CCCC1
InChIInChI=1S/C8H13N/c1-9-7-8-5-3-2-4-6-8/h3,5,8H,1-2,4,6-7H2
InChIKeyHENYGMPTNDWADS-UHFFFAOYSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(Isocyanatomethyl)cyclohex-1-ene
CID 63109960
4-(2-Isocyanatoethyl)cyclohex-1-ene
CID 20288532
3-(Isothiocyanatomethyl)cyclohexene
CID 59044978
N-(cyclohexa-2,4-dien-1-ylmethyl)methanimine
CID 89090874
N-(3-ethylidene-5-methylhexyl)methanimine
CID 90954113
N-(2-ethylpent-3-enyl)methanimine
CID 90982818
N-(6-prop-1-enylcyclohex-3-en-1-yl)methanimine
CID 123299402
N-(8-methyl-3-propylnon-4-en-2-yl)methanimine
CID 123669519
3-(2-Isocyanoethyl)cyclohexene
CID 123828561
3-(Isocyanatomethyl)cyclohexene
CID 134420334
N-[(E,5R)-5-methylnon-7-enyl]methanimine
CID 148273843
3-(2-Isothiocyanatoethyl)cyclohexene
CID 150378742

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-2-en-1-ylmethyl)methanimine?
The IUPAC name of N-(cyclohex-2-en-1-ylmethyl)methanimine (CID 163609342) is N-(cyclohex-2-en-1-ylmethyl)methanimine.
What is the SMILES notation for N-(cyclohex-2-en-1-ylmethyl)methanimine?
The canonical SMILES for N-(cyclohex-2-en-1-ylmethyl)methanimine is C=NCC1C=CCCC1.
What is the InChIKey of N-(cyclohex-2-en-1-ylmethyl)methanimine?
The InChIKey is HENYGMPTNDWADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-9-7-8-5-3-2-4-6-8/h3,5,8H,1-2,4,6-7H2.
What are the key properties of N-(cyclohex-2-en-1-ylmethyl)methanimine?
N-(cyclohex-2-en-1-ylmethyl)methanimine has a molecular weight of 123.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-2-en-1-ylmethyl)methanimine is sourced from PubChem (CID 163609342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).