N-(4,4-dimethylhept-1-en-2-yl)-2-methylidene-3-propylnonan-1-imine

C22H41N — CID 91366331

IUPACN-(4,4-dimethylhept-1-en-2-yl)-2-methylidene-3-propylnonan-1-imine
SMILESC=C(CC(C)(C)CCC)/N=C/C(=C)C(CCC)CCCCCC
InChIInChI=1S/C22H41N/c1-8-11-12-13-15-21(14-9-2)19(4)18-23-20(5)17-22(6,7)16-10-3/h18,21H,4-5,8-17H2,1-3,6-7H3/b23-18+
InChIKeyWMGOGLVCQCLXAN-PTGBLXJZSA-N
MW319.58 g/mol
LogP7.73
Rot. Bonds14

About N-(4,4-dimethylhept-1-en-2-yl)-2-methylidene-3-propylnonan-1-imine

N-(4,4-dimethylhept-1-en-2-yl)-2-methylidene-3-propylnonan-1-imine (PubChem CID 91366331) has the molecular formula C22H41N and a molecular weight of 319.58 g/mol. Its IUPAC name is N-(4,4-dimethylhept-1-en-2-yl)-2-methylidene-3-propylnonan-1-imine.

Molecular Properties

Compound NameN-(4,4-dimethylhept-1-en-2-yl)-2-methylidene-3-propylnonan-1-imine
PubChem CID91366331
Molecular FormulaC22H41N
Molecular Weight319.58 g/mol
Exact Mass319.32
IUPAC NameN-(4,4-dimethylhept-1-en-2-yl)-2-methylidene-3-propylnonan-1-imine
SMILESC=C(CC(C)(C)CCC)/N=C/C(=C)C(CCC)CCCCCC
InChIInChI=1S/C22H41N/c1-8-11-12-13-15-21(14-9-2)19(4)18-23-20(5)17-22(6,7)16-10-3/h18,21H,4-5,8-17H2,1-3,6-7H3/b23-18+
InChIKeyWMGOGLVCQCLXAN-PTGBLXJZSA-N
XLogP7.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.58
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4,4-dimethylhept-1-en-2-yl)-2-methylidene-3-propylnonan-1-imine 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

2-methylidene-3-propylnonadecanoic acid
CID 174308550
N-(4-methyloctan-4-yl)methanimine
CID 163935005
2-propylhexadecanoic acid
CID 10040360
decan-1-ol;8,8-dimethylundecan-1-ol
CID 162145912
3-ethyl-2-methyldodec-1-ene
CID 174845873
2,2-dimethyl-4-octadecyldocosan-3-one
CID 169059642
2-propylheptadecanoic acid
CID 22251985
4,4,6,12-tetramethyloctadecane
CID 123154666
(5R,6R)-5-ethenyl-5-propyldodecan-6-ol
CID 10354987
4,4,7-trimethyldodecane
CID 91411996
3-dodecyl-2-methylidenepentacosanoic acid
CID 87864826
ethane;3-methyl-4-propylundeca-1,2-diene
CID 143173794

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylhept-1-en-2-yl)-2-methylidene-3-propylnonan-1-imine?
The IUPAC name of N-(4,4-dimethylhept-1-en-2-yl)-2-methylidene-3-propylnonan-1-imine (CID 91366331) is N-(4,4-dimethylhept-1-en-2-yl)-2-methylidene-3-propylnonan-1-imine.
What is the SMILES notation for N-(4,4-dimethylhept-1-en-2-yl)-2-methylidene-3-propylnonan-1-imine?
The canonical SMILES for N-(4,4-dimethylhept-1-en-2-yl)-2-methylidene-3-propylnonan-1-imine is C=C(CC(C)(C)CCC)/N=C/C(=C)C(CCC)CCCCCC.
What is the InChIKey of N-(4,4-dimethylhept-1-en-2-yl)-2-methylidene-3-propylnonan-1-imine?
The InChIKey is WMGOGLVCQCLXAN-PTGBLXJZSA-N. The full InChI is InChI=1S/C22H41N/c1-8-11-12-13-15-21(14-9-2)19(4)18-23-20(5)17-22(6,7)16-10-3/h18,21H,4-5,8-17H2,1-3,6-7H3/b23-18+.
What are the key properties of N-(4,4-dimethylhept-1-en-2-yl)-2-methylidene-3-propylnonan-1-imine?
N-(4,4-dimethylhept-1-en-2-yl)-2-methylidene-3-propylnonan-1-imine has a molecular weight of 319.58 g/mol, XLogP of 7.73, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylhept-1-en-2-yl)-2-methylidene-3-propylnonan-1-imine is sourced from PubChem (CID 91366331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).