2-cyclopropyl-N,4,4-trimethylcyclohepta-2,6-dien-1-imine

C13H19N — CID 91115506

IUPAC2-cyclopropyl-N,4,4-trimethylcyclohepta-2,6-dien-1-imine
SMILESC/N=C1\C=CCC(C)(C)C=C1C1CC1
InChIInChI=1S/C13H19N/c1-13(2)8-4-5-12(14-3)11(9-13)10-6-7-10/h4-5,9-10H,6-8H2,1-3H3/b14-12+
InChIKeyGUFBHDKOGOVAPN-WYMLVPIESA-N
MW189.30 g/mol
LogP3.38
Rot. Bonds1

About 2-cyclopropyl-N,4,4-trimethylcyclohepta-2,6-dien-1-imine

2-cyclopropyl-N,4,4-trimethylcyclohepta-2,6-dien-1-imine (PubChem CID 91115506) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-cyclopropyl-N,4,4-trimethylcyclohepta-2,6-dien-1-imine.

Molecular Properties

Compound Name2-cyclopropyl-N,4,4-trimethylcyclohepta-2,6-dien-1-imine
PubChem CID91115506
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-cyclopropyl-N,4,4-trimethylcyclohepta-2,6-dien-1-imine
SMILESC/N=C1\C=CCC(C)(C)C=C1C1CC1
InChIInChI=1S/C13H19N/c1-13(2)8-4-5-12(14-3)11(9-13)10-6-7-10/h4-5,9-10H,6-8H2,1-3H3/b14-12+
InChIKeyGUFBHDKOGOVAPN-WYMLVPIESA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.38
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 2-cyclopropyl-N,4,4-trimethylcyclohepta-2,6-dien-1-imine?
The IUPAC name of 2-cyclopropyl-N,4,4-trimethylcyclohepta-2,6-dien-1-imine (CID 91115506) is 2-cyclopropyl-N,4,4-trimethylcyclohepta-2,6-dien-1-imine.
What is the SMILES notation for 2-cyclopropyl-N,4,4-trimethylcyclohepta-2,6-dien-1-imine?
The canonical SMILES for 2-cyclopropyl-N,4,4-trimethylcyclohepta-2,6-dien-1-imine is C/N=C1\C=CCC(C)(C)C=C1C1CC1.
What is the InChIKey of 2-cyclopropyl-N,4,4-trimethylcyclohepta-2,6-dien-1-imine?
The InChIKey is GUFBHDKOGOVAPN-WYMLVPIESA-N. The full InChI is InChI=1S/C13H19N/c1-13(2)8-4-5-12(14-3)11(9-13)10-6-7-10/h4-5,9-10H,6-8H2,1-3H3/b14-12+.
What are the key properties of 2-cyclopropyl-N,4,4-trimethylcyclohepta-2,6-dien-1-imine?
2-cyclopropyl-N,4,4-trimethylcyclohepta-2,6-dien-1-imine has a molecular weight of 189.30 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N,4,4-trimethylcyclohepta-2,6-dien-1-imine is sourced from PubChem (CID 91115506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).