N-[1-methyl-4-[(2E,4E)-7-methylocta-2,4-dien-2-yl]cyclohexyl]methanimine

C17H29N — CID 15173162

IUPACN-[1-methyl-4-[(2E,4E)-7-methylocta-2,4-dien-2-yl]cyclohexyl]methanimine
SMILESC=NC1(C)CCC(/C(C)=C/C=C/CC(C)C)CC1
InChIInChI=1S/C17H29N/c1-14(2)8-6-7-9-15(3)16-10-12-17(4,18-5)13-11-16/h6-7,9,14,16H,5,8,10-13H2,1-4H3/b7-6+,15-9+
InChIKeyFCNOQRBYKGOJJO-YSLZEPIFSA-N
MW247.43 g/mol
LogP5.18
Rot. Bonds5

About N-[1-methyl-4-[(2E,4E)-7-methylocta-2,4-dien-2-yl]cyclohexyl]methanimine

N-[1-methyl-4-[(2E,4E)-7-methylocta-2,4-dien-2-yl]cyclohexyl]methanimine (PubChem CID 15173162) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[1-methyl-4-[(2E,4E)-7-methylocta-2,4-dien-2-yl]cyclohexyl]methanimine.

Molecular Properties

Compound NameN-[1-methyl-4-[(2E,4E)-7-methylocta-2,4-dien-2-yl]cyclohexyl]methanimine
PubChem CID15173162
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-[1-methyl-4-[(2E,4E)-7-methylocta-2,4-dien-2-yl]cyclohexyl]methanimine
SMILESC=NC1(C)CCC(/C(C)=C/C=C/CC(C)C)CC1
InChIInChI=1S/C17H29N/c1-14(2)8-6-7-9-15(3)16-10-12-17(4,18-5)13-11-16/h6-7,9,14,16H,5,8,10-13H2,1-4H3/b7-6+,15-9+
InChIKeyFCNOQRBYKGOJJO-YSLZEPIFSA-N
XLogP5.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-methyl-4-[(2E,4E)-7-methylocta-2,4-dien-2-yl]cyclohexyl]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

3-Isocyanotheonellin
CID 11368241
Theonellin isothiocyanate
CID 13579867
N-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine
CID 15173163
1-Isothiocyanato-1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexane
CID 73184989
N-[1-methyl-4-(7-methylocta-2,4-dien-2-yl)cyclohexyl]methanimine
CID 162966383
1-isocyano-1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexane
CID 10911409
3-Isocyanobisabolane-8,10-diene [C16H25N]
CID 101602476
N-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine
CID 90899690
N-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine
CID 91451462
(E)-3-isocyanobisabolane-7,10-diene
CID 11064280
Cmnpd14578
CID 11299212
Sesquiterpene theonellin isocyanate
CID 57381957

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-4-[(2E,4E)-7-methylocta-2,4-dien-2-yl]cyclohexyl]methanimine?
The IUPAC name of N-[1-methyl-4-[(2E,4E)-7-methylocta-2,4-dien-2-yl]cyclohexyl]methanimine (CID 15173162) is N-[1-methyl-4-[(2E,4E)-7-methylocta-2,4-dien-2-yl]cyclohexyl]methanimine.
What is the SMILES notation for N-[1-methyl-4-[(2E,4E)-7-methylocta-2,4-dien-2-yl]cyclohexyl]methanimine?
The canonical SMILES for N-[1-methyl-4-[(2E,4E)-7-methylocta-2,4-dien-2-yl]cyclohexyl]methanimine is C=NC1(C)CCC(/C(C)=C/C=C/CC(C)C)CC1.
What is the InChIKey of N-[1-methyl-4-[(2E,4E)-7-methylocta-2,4-dien-2-yl]cyclohexyl]methanimine?
The InChIKey is FCNOQRBYKGOJJO-YSLZEPIFSA-N. The full InChI is InChI=1S/C17H29N/c1-14(2)8-6-7-9-15(3)16-10-12-17(4,18-5)13-11-16/h6-7,9,14,16H,5,8,10-13H2,1-4H3/b7-6+,15-9+.
What are the key properties of N-[1-methyl-4-[(2E,4E)-7-methylocta-2,4-dien-2-yl]cyclohexyl]methanimine?
N-[1-methyl-4-[(2E,4E)-7-methylocta-2,4-dien-2-yl]cyclohexyl]methanimine has a molecular weight of 247.43 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-4-[(2E,4E)-7-methylocta-2,4-dien-2-yl]cyclohexyl]methanimine is sourced from PubChem (CID 15173162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).