N-(5-cyclobutylidene-4-methylhexan-2-yl)-3-methylnonan-4-imine

C21H39N — CID 123517936

IUPACN-(5-cyclobutylidene-4-methylhexan-2-yl)-3-methylnonan-4-imine
SMILESCCCCC/C(=N\C(C)CC(C)C(C)=C1CCC1)C(C)CC
InChIInChI=1S/C21H39N/c1-7-9-10-14-21(16(3)8-2)22-18(5)15-17(4)19(6)20-12-11-13-20/h16-18H,7-15H2,1-6H3/b22-21+
InChIKeyOFONIJPRHURYAG-QURGRASLSA-N
MW305.55 g/mol
LogP6.97
Rot. Bonds10

About N-(5-cyclobutylidene-4-methylhexan-2-yl)-3-methylnonan-4-imine

N-(5-cyclobutylidene-4-methylhexan-2-yl)-3-methylnonan-4-imine (PubChem CID 123517936) has the molecular formula C21H39N and a molecular weight of 305.55 g/mol. Its IUPAC name is N-(5-cyclobutylidene-4-methylhexan-2-yl)-3-methylnonan-4-imine.

Molecular Properties

Compound NameN-(5-cyclobutylidene-4-methylhexan-2-yl)-3-methylnonan-4-imine
PubChem CID123517936
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC NameN-(5-cyclobutylidene-4-methylhexan-2-yl)-3-methylnonan-4-imine
SMILESCCCCC/C(=N\C(C)CC(C)C(C)=C1CCC1)C(C)CC
InChIInChI=1S/C21H39N/c1-7-9-10-14-21(16(3)8-2)22-18(5)15-17(4)19(6)20-12-11-13-20/h16-18H,7-15H2,1-6H3/b22-21+
InChIKeyOFONIJPRHURYAG-QURGRASLSA-N
XLogP6.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 56.97
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(5-cyclobutylidene-4-methylhexan-2-yl)-3-methylnonan-4-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

5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
3,4-dimethyl-N-(3,6,7-trimethyloct-5-en-4-yl)dodecan-2-imine
CID 123143028
(Z)-N-(1-cyclobutylpropan-2-yl)-5-prop-2-enyldec-4-en-3-imine
CID 123577888
(Z)-3,7-diethyl-N,6-dimethyl-5-pentan-2-ylnon-5-en-4-imine
CID 123714871
N-(9-butan-2-ylidene-2,4-dimethyltetradecan-5-yl)-1-(2-ethylcyclopropyl)methanimine
CID 123754500
N-[5-(cyclobuten-1-ylmethyl)-2,3,4-trimethylheptyl]butan-2-imine
CID 155149090
1-Methyl-4,8-di(propan-2-yl)-3,4,5,6,7,8,9,10-octahydrocycloocta[c]pyridine
CID 163431084
(5Z)-9-ethyl-2,5,6,7-tetramethyl-3,4,7,8-tetrahydro-2H-azonine
CID 167238385
2-[(3E)-3-ethylidene-5-methyldecan-2-yl]-3-propyl-2,3-dihydroazete
CID 170387702
(5E,9E)-5,9,12-trimethyl-N-nonan-2-ylhexadeca-5,9-dien-2-imine
CID 170394889
N-[(2S,3S,7E,9Z)-3,8-dimethyl-7-propyldodeca-7,9,11-trien-2-yl]butan-2-imine
CID 170608726

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutylidene-4-methylhexan-2-yl)-3-methylnonan-4-imine?
The IUPAC name of N-(5-cyclobutylidene-4-methylhexan-2-yl)-3-methylnonan-4-imine (CID 123517936) is N-(5-cyclobutylidene-4-methylhexan-2-yl)-3-methylnonan-4-imine.
What is the SMILES notation for N-(5-cyclobutylidene-4-methylhexan-2-yl)-3-methylnonan-4-imine?
The canonical SMILES for N-(5-cyclobutylidene-4-methylhexan-2-yl)-3-methylnonan-4-imine is CCCCC/C(=N\C(C)CC(C)C(C)=C1CCC1)C(C)CC.
What is the InChIKey of N-(5-cyclobutylidene-4-methylhexan-2-yl)-3-methylnonan-4-imine?
The InChIKey is OFONIJPRHURYAG-QURGRASLSA-N. The full InChI is InChI=1S/C21H39N/c1-7-9-10-14-21(16(3)8-2)22-18(5)15-17(4)19(6)20-12-11-13-20/h16-18H,7-15H2,1-6H3/b22-21+.
What are the key properties of N-(5-cyclobutylidene-4-methylhexan-2-yl)-3-methylnonan-4-imine?
N-(5-cyclobutylidene-4-methylhexan-2-yl)-3-methylnonan-4-imine has a molecular weight of 305.55 g/mol, XLogP of 6.97, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutylidene-4-methylhexan-2-yl)-3-methylnonan-4-imine is sourced from PubChem (CID 123517936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).