N-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine

C15H27N — CID 123567686

IUPACN-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine
SMILESC=NC1C(C)=CC(C)CC(C)C(C)CC1C
InChIInChI=1S/C15H27N/c1-10-7-11(2)12(3)9-14(5)15(16-6)13(4)8-10/h8,10-12,14-15H,6-7,9H2,1-5H3
InChIKeyRNFWRPYRPXJVHM-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.34
Rot. Bonds1

About N-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine

N-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine (PubChem CID 123567686) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine.

Molecular Properties

Compound NameN-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine
PubChem CID123567686
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine
SMILESC=NC1C(C)=CC(C)CC(C)C(C)CC1C
InChIInChI=1S/C15H27N/c1-10-7-11(2)12(3)9-14(5)15(16-6)13(4)8-10/h8,10-12,14-15H,6-7,9H2,1-5H3
InChIKeyRNFWRPYRPXJVHM-UHFFFAOYSA-N
XLogP4.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.34
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'}

Analyze N-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine
CID 15173163
2-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
3-(2-Methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine
CID 90769610
N-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine
CID 90899690
N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine
CID 91145112
N-(4,6-dimethyldec-3-en-5-yl)methanimine
CID 91311305
2-(3-Ethyl-4,5-dimethylcyclohexen-1-yl)-2,5-dihydropyridine
CID 91334885
3-Butylidene-2-(2-methylbutyl)-2,4-dihydroazepine
CID 123139562
N-(3,8-dimethylnon-7-enyl)methanimine
CID 123415175
N-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine
CID 126641636
N-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine
CID 126690373
8-Butyl-6-methyl-2-azabicyclo[2.2.2]octa-2,5-diene
CID 129282044

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine?
The IUPAC name of N-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine (CID 123567686) is N-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine.
What is the SMILES notation for N-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine?
The canonical SMILES for N-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine is C=NC1C(C)=CC(C)CC(C)C(C)CC1C.
What is the InChIKey of N-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine?
The InChIKey is RNFWRPYRPXJVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-10-7-11(2)12(3)9-14(5)15(16-6)13(4)8-10/h8,10-12,14-15H,6-7,9H2,1-5H3.
What are the key properties of N-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine?
N-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine has a molecular weight of 221.39 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine is sourced from PubChem (CID 123567686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).