1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine

C15H26N2 — CID 91394984

IUPAC1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine
SMILES[H]/N=C1\C=C(C)C(C)C(CC)C\C1=N/C(C)CC
InChIInChI=1S/C15H26N2/c1-6-11(4)17-15-9-13(7-2)12(5)10(3)8-14(15)16/h8,11-13,16H,6-7,9H2,1-5H3/b16-14+,17-15+
InChIKeyAKEFWAZGDXVJDD-YXLFCKQPSA-N
MW234.39 g/mol
LogP4.26
Rot. Bonds3

About 1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine

1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine (PubChem CID 91394984) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine.

Molecular Properties

Compound Name1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine
PubChem CID91394984
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine
SMILES[H]/N=C1\C=C(C)C(C)C(CC)C\C1=N/C(C)CC
InChIInChI=1S/C15H26N2/c1-6-11(4)17-15-9-13(7-2)12(5)10(3)8-14(15)16/h8,11-13,16H,6-7,9H2,1-5H3/b16-14+,17-15+
InChIKeyAKEFWAZGDXVJDD-YXLFCKQPSA-N
XLogP4.26
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
4-(2,4-dimethylpentyl)-6-ethyl-7-methyl-3,4-dihydro-2H-azepine
CID 70894676
(7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine
CID 90917683
5-Ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine
CID 91205691
(4,8,10-Trimethylundec-8-en-3-ylideneamino)methanamine
CID 91397502
4-N-butan-2-yl-6,7-dimethyloct-7-ene-3,4-diimine
CID 91435545
2-ethanimidoyl-3-N-(3-methylbutan-2-yl)cyclohept-4-ene-1,3-diimine
CID 91598868
(4Z)-3-N,6,11-trimethyl-10-methylidenedodeca-4,11-diene-2,3-diimine
CID 123185703
(E)-3,5-dimethyl-N-propylundec-2-en-4-imine
CID 123347173
N,3,7-trimethylcyclohept-2-en-1-imine
CID 123422604
2,6-Di(propan-2-yl)cyclohex-2-en-1-imine
CID 123485492
N-methyl-4-octan-4-ylcyclohept-2-en-1-imine
CID 123494760

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine?
The IUPAC name of 1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine (CID 91394984) is 1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine.
What is the SMILES notation for 1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine?
The canonical SMILES for 1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine is [H]/N=C1\C=C(C)C(C)C(CC)C\C1=N/C(C)CC.
What is the InChIKey of 1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine?
The InChIKey is AKEFWAZGDXVJDD-YXLFCKQPSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-11(4)17-15-9-13(7-2)12(5)10(3)8-14(15)16/h8,11-13,16H,6-7,9H2,1-5H3/b16-14+,17-15+.
What are the key properties of 1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine?
1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine has a molecular weight of 234.39 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-6-ethyl-4,5-dimethylcyclohept-3-ene-1,2-diimine is sourced from PubChem (CID 91394984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).