N-[(1E)-1-(5-tert-butyl-2-methylcyclohexen-1-yl)-3-methylbuta-1,3-dien-2-yl]propan-2-imine

C19H31N — CID 155725625

IUPACN-[(1E)-1-(5-tert-butyl-2-methylcyclohexen-1-yl)-3-methylbuta-1,3-dien-2-yl]propan-2-imine
SMILESC=C(C)/C(=C\C1=C(C)CCC(C(C)(C)C)C1)N=C(C)C
InChIInChI=1S/C19H31N/c1-13(2)18(20-14(3)4)12-16-11-17(19(6,7)8)10-9-15(16)5/h12,17H,1,9-11H2,2-8H3/b18-12+
InChIKeyCWGUFJOSUPZDJM-LDADJPATSA-N
MW273.46 g/mol
LogP6.09
Rot. Bonds3

About N-[(1E)-1-(5-tert-butyl-2-methylcyclohexen-1-yl)-3-methylbuta-1,3-dien-2-yl]propan-2-imine

N-[(1E)-1-(5-tert-butyl-2-methylcyclohexen-1-yl)-3-methylbuta-1,3-dien-2-yl]propan-2-imine (PubChem CID 155725625) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[(1E)-1-(5-tert-butyl-2-methylcyclohexen-1-yl)-3-methylbuta-1,3-dien-2-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(1E)-1-(5-tert-butyl-2-methylcyclohexen-1-yl)-3-methylbuta-1,3-dien-2-yl]propan-2-imine
PubChem CID155725625
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[(1E)-1-(5-tert-butyl-2-methylcyclohexen-1-yl)-3-methylbuta-1,3-dien-2-yl]propan-2-imine
SMILESC=C(C)/C(=C\C1=C(C)CCC(C(C)(C)C)C1)N=C(C)C
InChIInChI=1S/C19H31N/c1-13(2)18(20-14(3)4)12-16-11-17(19(6,7)8)10-9-15(16)5/h12,17H,1,9-11H2,2-8H3/b18-12+
InChIKeyCWGUFJOSUPZDJM-LDADJPATSA-N
XLogP6.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-N-(6-propan-2-yl-4-propylcyclohexa-1,3-dien-1-yl)propan-2-imine
CID 167030836
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CID 144915556
2-methyl-6-[(9Z,11E,13E)-15-methyl-14-tricyclo[6.6.2.04,16]hexadeca-1,5,9,11,13-pentaenyl]-3,4-dihydropyridine
CID 89431640
4-Tert-butyl-6-methyl-3-(2-methylpropyl)-1,6-di(propan-2-yl)cyclohepta[c]pyridine
CID 90837953
4-ethyl-N-[(Z)-1-(4-ethylcyclohexa-1,3-dien-1-yl)prop-1-enyl]-3-methylheptan-2-imine
CID 118198532
1,1,2,3-tetramethyl-6,10a-dihydro-5aH-cyclohepta[e]indol-3-ium
CID 123169985
3,3-Dimethyl-2-(3-methylhexan-2-yl)-5,6-dihydroindole
CID 123267246
3-Methyl-7-methylidene-2-(2-methyl-1-prop-1-en-2-yl-4-propylcyclohexa-2,4-dien-1-yl)-3,4,5,6-tetrahydroazepine
CID 130217036
N-[(5E,8Z,10Z)-5,7-dimethyl-4-(4,4,5-trimethylnona-2,6-dien-5-yl)-3,4,7,12-tetrahydrobenzo[10]annulen-6-yl]butan-2-imine
CID 132155708
(2Z,4E,6E,8E)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,7-dimethyl-9-(2,3,6,6-tetramethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 137391903
N-[3-[2-methyl-4-[(Z)-4-[(E)-2-methylbut-1-enyl]-6-methylideneoct-4-enyl]-6-methylidenecyclohexen-1-yl]prop-1-en-2-yl]propan-2-imine
CID 137466655
(4E)-4-butylidene-6-[(2E,4Z)-7-ethyl-8,8-dimethylnona-2,4-dien-3-yl]-3-methylidene-2-propylpyridine
CID 138656648

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-1-(5-tert-butyl-2-methylcyclohexen-1-yl)-3-methylbuta-1,3-dien-2-yl]propan-2-imine?
The IUPAC name of N-[(1E)-1-(5-tert-butyl-2-methylcyclohexen-1-yl)-3-methylbuta-1,3-dien-2-yl]propan-2-imine (CID 155725625) is N-[(1E)-1-(5-tert-butyl-2-methylcyclohexen-1-yl)-3-methylbuta-1,3-dien-2-yl]propan-2-imine.
What is the SMILES notation for N-[(1E)-1-(5-tert-butyl-2-methylcyclohexen-1-yl)-3-methylbuta-1,3-dien-2-yl]propan-2-imine?
The canonical SMILES for N-[(1E)-1-(5-tert-butyl-2-methylcyclohexen-1-yl)-3-methylbuta-1,3-dien-2-yl]propan-2-imine is C=C(C)/C(=C\C1=C(C)CCC(C(C)(C)C)C1)N=C(C)C.
What is the InChIKey of N-[(1E)-1-(5-tert-butyl-2-methylcyclohexen-1-yl)-3-methylbuta-1,3-dien-2-yl]propan-2-imine?
The InChIKey is CWGUFJOSUPZDJM-LDADJPATSA-N. The full InChI is InChI=1S/C19H31N/c1-13(2)18(20-14(3)4)12-16-11-17(19(6,7)8)10-9-15(16)5/h12,17H,1,9-11H2,2-8H3/b18-12+.
What are the key properties of N-[(1E)-1-(5-tert-butyl-2-methylcyclohexen-1-yl)-3-methylbuta-1,3-dien-2-yl]propan-2-imine?
N-[(1E)-1-(5-tert-butyl-2-methylcyclohexen-1-yl)-3-methylbuta-1,3-dien-2-yl]propan-2-imine has a molecular weight of 273.46 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-1-(5-tert-butyl-2-methylcyclohexen-1-yl)-3-methylbuta-1,3-dien-2-yl]propan-2-imine is sourced from PubChem (CID 155725625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).