2-methyl-1-[2-methyl-3-(3-methylnon-8-en-2-ylidene)cyclobutyl]heptan-4-imine

C23H41N — CID 91346033

IUPAC2-methyl-1-[2-methyl-3-(3-methylnon-8-en-2-ylidene)cyclobutyl]heptan-4-imine
SMILES[H]/N=C(\CCC)CC(C)CC1CC(=C(C)C(C)CCCCC=C)C1C
InChIInChI=1S/C23H41N/c1-7-9-10-11-13-18(4)19(5)23-16-21(20(23)6)14-17(3)15-22(24)12-8-2/h7,17-18,20-21,24H,1,8-16H2,2-6H3/b23-19?,24-22+
InChIKeyINAKJQBQWBBHHE-KSQZLRTGSA-N
MW331.59 g/mol
LogP7.58
Rot. Bonds12

About 2-methyl-1-[2-methyl-3-(3-methylnon-8-en-2-ylidene)cyclobutyl]heptan-4-imine

2-methyl-1-[2-methyl-3-(3-methylnon-8-en-2-ylidene)cyclobutyl]heptan-4-imine (PubChem CID 91346033) has the molecular formula C23H41N and a molecular weight of 331.59 g/mol. Its IUPAC name is 2-methyl-1-[2-methyl-3-(3-methylnon-8-en-2-ylidene)cyclobutyl]heptan-4-imine.

Molecular Properties

Compound Name2-methyl-1-[2-methyl-3-(3-methylnon-8-en-2-ylidene)cyclobutyl]heptan-4-imine
PubChem CID91346033
Molecular FormulaC23H41N
Molecular Weight331.59 g/mol
Exact Mass331.32
IUPAC Name2-methyl-1-[2-methyl-3-(3-methylnon-8-en-2-ylidene)cyclobutyl]heptan-4-imine
SMILES[H]/N=C(\CCC)CC(C)CC1CC(=C(C)C(C)CCCCC=C)C1C
InChIInChI=1S/C23H41N/c1-7-9-10-11-13-18(4)19(5)23-16-21(20(23)6)14-17(3)15-22(24)12-8-2/h7,17-18,20-21,24H,1,8-16H2,2-6H3/b23-19?,24-22+
InChIKeyINAKJQBQWBBHHE-KSQZLRTGSA-N
XLogP7.58
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 57.58
H-Bond Donors ≤ 51
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'}

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Related Compounds

(3S)-3-(4-octylcyclohexa-2,4-dien-1-yl)cyclopentan-1-imine
CID 68219189
(2S)-1-cyclohex-3-en-1-yl-2-methylbutan-1-imine
CID 89058429
(E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine
CID 89196812
2,3-Bis(5-methylhexan-2-yl)cyclohexa-2,5-diene-1,4-diimine
CID 89287511
3,4-Dimethylnonadec-4-en-2-imine
CID 90701374
(4E)-5-ethyl-7,9,13,16-tetramethyl-8-methylideneheptadeca-4,11,13-trien-2-imine
CID 90720795
4-Ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine
CID 90813962
1-Cyclopentyl-4,9-dimethyl-6-prop-1-enyldeca-6,8-dien-3-imine
CID 90856571
5-Ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine
CID 91205691
2-(2-Ethenylidene-3-propylhexyl)-5-(3-methylpenta-1,3-dien-2-yl)cyclohepta-2,6-dien-1-imine
CID 91318570
1-[3-Ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine
CID 91385250
3,7,8,10-Tetramethyldodec-9-en-4-imine
CID 91500026

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-methyl-3-(3-methylnon-8-en-2-ylidene)cyclobutyl]heptan-4-imine?
The IUPAC name of 2-methyl-1-[2-methyl-3-(3-methylnon-8-en-2-ylidene)cyclobutyl]heptan-4-imine (CID 91346033) is 2-methyl-1-[2-methyl-3-(3-methylnon-8-en-2-ylidene)cyclobutyl]heptan-4-imine.
What is the SMILES notation for 2-methyl-1-[2-methyl-3-(3-methylnon-8-en-2-ylidene)cyclobutyl]heptan-4-imine?
The canonical SMILES for 2-methyl-1-[2-methyl-3-(3-methylnon-8-en-2-ylidene)cyclobutyl]heptan-4-imine is [H]/N=C(\CCC)CC(C)CC1CC(=C(C)C(C)CCCCC=C)C1C.
What is the InChIKey of 2-methyl-1-[2-methyl-3-(3-methylnon-8-en-2-ylidene)cyclobutyl]heptan-4-imine?
The InChIKey is INAKJQBQWBBHHE-KSQZLRTGSA-N. The full InChI is InChI=1S/C23H41N/c1-7-9-10-11-13-18(4)19(5)23-16-21(20(23)6)14-17(3)15-22(24)12-8-2/h7,17-18,20-21,24H,1,8-16H2,2-6H3/b23-19?,24-22+.
What are the key properties of 2-methyl-1-[2-methyl-3-(3-methylnon-8-en-2-ylidene)cyclobutyl]heptan-4-imine?
2-methyl-1-[2-methyl-3-(3-methylnon-8-en-2-ylidene)cyclobutyl]heptan-4-imine has a molecular weight of 331.59 g/mol, XLogP of 7.58, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-methyl-3-(3-methylnon-8-en-2-ylidene)cyclobutyl]heptan-4-imine is sourced from PubChem (CID 91346033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).