N-(4,5-dimethyl-7-methylidene-3-bicyclo[7.1.0]decanyl)methanimine

C14H23N — CID 139381963

IUPACN-(4,5-dimethyl-7-methylidene-3-bicyclo[7.1.0]decanyl)methanimine
SMILESC=NC1CC2CC2CC(=C)CC(C)C1C
InChIInChI=1S/C14H23N/c1-9-5-10(2)11(3)14(15-4)8-13-7-12(13)6-9/h10-14H,1,4-8H2,2-3H3
InChIKeyCXAOXKLULSOTLY-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.70
Rot. Bonds1

About N-(4,5-dimethyl-7-methylidene-3-bicyclo[7.1.0]decanyl)methanimine

N-(4,5-dimethyl-7-methylidene-3-bicyclo[7.1.0]decanyl)methanimine (PubChem CID 139381963) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-(4,5-dimethyl-7-methylidene-3-bicyclo[7.1.0]decanyl)methanimine.

Molecular Properties

Compound NameN-(4,5-dimethyl-7-methylidene-3-bicyclo[7.1.0]decanyl)methanimine
PubChem CID139381963
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-(4,5-dimethyl-7-methylidene-3-bicyclo[7.1.0]decanyl)methanimine
SMILESC=NC1CC2CC2CC(=C)CC(C)C1C
InChIInChI=1S/C14H23N/c1-9-5-10(2)11(3)14(15-4)8-13-7-12(13)6-9/h10-14H,1,4-8H2,2-3H3
InChIKeyCXAOXKLULSOTLY-UHFFFAOYSA-N
XLogP3.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-7-methylidene-3-bicyclo[7.1.0]decanyl)methanimine?
The IUPAC name of N-(4,5-dimethyl-7-methylidene-3-bicyclo[7.1.0]decanyl)methanimine (CID 139381963) is N-(4,5-dimethyl-7-methylidene-3-bicyclo[7.1.0]decanyl)methanimine.
What is the SMILES notation for N-(4,5-dimethyl-7-methylidene-3-bicyclo[7.1.0]decanyl)methanimine?
The canonical SMILES for N-(4,5-dimethyl-7-methylidene-3-bicyclo[7.1.0]decanyl)methanimine is C=NC1CC2CC2CC(=C)CC(C)C1C.
What is the InChIKey of N-(4,5-dimethyl-7-methylidene-3-bicyclo[7.1.0]decanyl)methanimine?
The InChIKey is CXAOXKLULSOTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-9-5-10(2)11(3)14(15-4)8-13-7-12(13)6-9/h10-14H,1,4-8H2,2-3H3.
What are the key properties of N-(4,5-dimethyl-7-methylidene-3-bicyclo[7.1.0]decanyl)methanimine?
N-(4,5-dimethyl-7-methylidene-3-bicyclo[7.1.0]decanyl)methanimine has a molecular weight of 205.34 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-7-methylidene-3-bicyclo[7.1.0]decanyl)methanimine is sourced from PubChem (CID 139381963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).