(Z)-3-(4,5-ditert-butyl-2-methylcyclopenten-1-yl)-N-methylprop-2-en-1-imine

C18H31N — CID 126640022

IUPAC(Z)-3-(4,5-ditert-butyl-2-methylcyclopenten-1-yl)-N-methylprop-2-en-1-imine
SMILESC/N=C/C=C\C1=C(C)CC(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C18H31N/c1-13-12-15(17(2,3)4)16(18(5,6)7)14(13)10-9-11-19-8/h9-11,15-16H,12H2,1-8H3/b10-9-,19-11+
InChIKeyVLZXQHXKUMFBJO-ITEIZMRHSA-N
MW261.45 g/mol
LogP5.29
Rot. Bonds2

About (Z)-3-(4,5-ditert-butyl-2-methylcyclopenten-1-yl)-N-methylprop-2-en-1-imine

(Z)-3-(4,5-ditert-butyl-2-methylcyclopenten-1-yl)-N-methylprop-2-en-1-imine (PubChem CID 126640022) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is (Z)-3-(4,5-ditert-butyl-2-methylcyclopenten-1-yl)-N-methylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-(4,5-ditert-butyl-2-methylcyclopenten-1-yl)-N-methylprop-2-en-1-imine
PubChem CID126640022
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name(Z)-3-(4,5-ditert-butyl-2-methylcyclopenten-1-yl)-N-methylprop-2-en-1-imine
SMILESC/N=C/C=C\C1=C(C)CC(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C18H31N/c1-13-12-15(17(2,3)4)16(18(5,6)7)14(13)10-9-11-19-8/h9-11,15-16H,12H2,1-8H3/b10-9-,19-11+
InChIKeyVLZXQHXKUMFBJO-ITEIZMRHSA-N
XLogP5.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4,5-ditert-butyl-2-methylcyclopenten-1-yl)-N-methylprop-2-en-1-imine?
The IUPAC name of (Z)-3-(4,5-ditert-butyl-2-methylcyclopenten-1-yl)-N-methylprop-2-en-1-imine (CID 126640022) is (Z)-3-(4,5-ditert-butyl-2-methylcyclopenten-1-yl)-N-methylprop-2-en-1-imine.
What is the SMILES notation for (Z)-3-(4,5-ditert-butyl-2-methylcyclopenten-1-yl)-N-methylprop-2-en-1-imine?
The canonical SMILES for (Z)-3-(4,5-ditert-butyl-2-methylcyclopenten-1-yl)-N-methylprop-2-en-1-imine is C/N=C/C=C\C1=C(C)CC(C(C)(C)C)C1C(C)(C)C.
What is the InChIKey of (Z)-3-(4,5-ditert-butyl-2-methylcyclopenten-1-yl)-N-methylprop-2-en-1-imine?
The InChIKey is VLZXQHXKUMFBJO-ITEIZMRHSA-N. The full InChI is InChI=1S/C18H31N/c1-13-12-15(17(2,3)4)16(18(5,6)7)14(13)10-9-11-19-8/h9-11,15-16H,12H2,1-8H3/b10-9-,19-11+.
What are the key properties of (Z)-3-(4,5-ditert-butyl-2-methylcyclopenten-1-yl)-N-methylprop-2-en-1-imine?
(Z)-3-(4,5-ditert-butyl-2-methylcyclopenten-1-yl)-N-methylprop-2-en-1-imine has a molecular weight of 261.45 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4,5-ditert-butyl-2-methylcyclopenten-1-yl)-N-methylprop-2-en-1-imine is sourced from PubChem (CID 126640022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).