3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine

C19H32N2 — CID 20681059

IUPAC3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine
SMILESC/N=C(\C)C(C)(C)C1=C(C)C(C)=C(C(C)(C)/C(C)=N/C)C1
InChIInChI=1S/C19H32N2/c1-12-13(2)17(19(7,8)15(4)21-10)11-16(12)18(5,6)14(3)20-9/h11H2,1-10H3/b20-14+,21-15+
InChIKeyMFAGPWCRABGUKQ-OZNQKUEASA-N
MW288.48 g/mol
LogP5.26
Rot. Bonds4

About 3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine

3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine (PubChem CID 20681059) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine.

Molecular Properties

Compound Name3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine
PubChem CID20681059
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine
SMILESC/N=C(\C)C(C)(C)C1=C(C)C(C)=C(C(C)(C)/C(C)=N/C)C1
InChIInChI=1S/C19H32N2/c1-12-13(2)17(19(7,8)15(4)21-10)11-16(12)18(5,6)14(3)20-9/h11H2,1-10H3/b20-14+,21-15+
InChIKeyMFAGPWCRABGUKQ-OZNQKUEASA-N
XLogP5.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2,3-Dimethyl-4-(3,3,4,5-tetramethylpyrrol-2-yl)cyclopenta-1,3-dien-1-yl]-3,3,4,5-tetramethylpyrrole
CID 20681050
1-(4,4,5,5-tetramethyl-3H-pyrrol-2-yl)-N-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]ethanimine
CID 20681062
N,4-dimethyl-1-(4-methylcyclohexyl)-3-(2-methylcyclopenten-1-yl)pent-3-en-2-imine
CID 132062552
(E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine;pentane
CID 142374781
1-N,2-N,5-trimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohex-3-ene-1,2-diimine
CID 143392002
7-(4,4-Dimethylpentyl)-4,6-dimethyl-2,5-dihydrobenzimidazol-5-ide;bis(yttrium)
CID 149228041
(3E,11E)-4-[(1-ethylcyclohexyl)methyl]-N,2,3,11-tetramethyl-10-methylidenetrideca-1,3,11-trien-5-imine
CID 156216833
(E)-6-(1-ethylcyclohexyl)-N,5-dimethyl-4-prop-1-en-2-ylhex-4-en-3-imine
CID 156224388
(Z)-N,3,3,4,5,6,6-heptamethylhept-4-en-2-imine;N,3,3,4,4,5,5,6,6-nonamethylheptan-2-imine;bis(N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine)
CID 158934781
(3E,11S,12Z)-3-ethenyl-N,9,11-trimethyl-11-propyltetradeca-3,12-dien-2-imine
CID 169922539
(6S)-N,4,6-trimethyl-4-(3-methylbut-2-en-2-yl)octan-2-imine
CID 174011043
(E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine
CID 142374782

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine?
The IUPAC name of 3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine (CID 20681059) is 3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine.
What is the SMILES notation for 3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine?
The canonical SMILES for 3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine is C/N=C(\C)C(C)(C)C1=C(C)C(C)=C(C(C)(C)/C(C)=N/C)C1.
What is the InChIKey of 3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine?
The InChIKey is MFAGPWCRABGUKQ-OZNQKUEASA-N. The full InChI is InChI=1S/C19H32N2/c1-12-13(2)17(19(7,8)15(4)21-10)11-16(12)18(5,6)14(3)20-9/h11H2,1-10H3/b20-14+,21-15+.
What are the key properties of 3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine?
3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine has a molecular weight of 288.48 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine is sourced from PubChem (CID 20681059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).