N-(2-methylcyclohexa-1,5-dien-1-yl)propan-2-imine

C10H15N — CID 170111088

IUPACN-(2-methylcyclohexa-1,5-dien-1-yl)propan-2-imine
SMILESCC(C)=NC1=C(C)CCC=C1
InChIInChI=1S/C10H15N/c1-8(2)11-10-7-5-4-6-9(10)3/h5,7H,4,6H2,1-3H3
InChIKeyCBWSZXHLZSOGLA-UHFFFAOYSA-N
MW149.24 g/mol
LogP3.09
Rot. Bonds1

About N-(2-methylcyclohexa-1,5-dien-1-yl)propan-2-imine

N-(2-methylcyclohexa-1,5-dien-1-yl)propan-2-imine (PubChem CID 170111088) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-(2-methylcyclohexa-1,5-dien-1-yl)propan-2-imine.

Molecular Properties

Compound NameN-(2-methylcyclohexa-1,5-dien-1-yl)propan-2-imine
PubChem CID170111088
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-(2-methylcyclohexa-1,5-dien-1-yl)propan-2-imine
SMILESCC(C)=NC1=C(C)CCC=C1
InChIInChI=1S/C10H15N/c1-8(2)11-10-7-5-4-6-9(10)3/h5,7H,4,6H2,1-3H3
InChIKeyCBWSZXHLZSOGLA-UHFFFAOYSA-N
XLogP3.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.09
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 N-(2-methylcyclohexa-1,5-dien-1-yl)propan-2-imine?
The IUPAC name of N-(2-methylcyclohexa-1,5-dien-1-yl)propan-2-imine (CID 170111088) is N-(2-methylcyclohexa-1,5-dien-1-yl)propan-2-imine.
What is the SMILES notation for N-(2-methylcyclohexa-1,5-dien-1-yl)propan-2-imine?
The canonical SMILES for N-(2-methylcyclohexa-1,5-dien-1-yl)propan-2-imine is CC(C)=NC1=C(C)CCC=C1.
What is the InChIKey of N-(2-methylcyclohexa-1,5-dien-1-yl)propan-2-imine?
The InChIKey is CBWSZXHLZSOGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8(2)11-10-7-5-4-6-9(10)3/h5,7H,4,6H2,1-3H3.
What are the key properties of N-(2-methylcyclohexa-1,5-dien-1-yl)propan-2-imine?
N-(2-methylcyclohexa-1,5-dien-1-yl)propan-2-imine has a molecular weight of 149.24 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexa-1,5-dien-1-yl)propan-2-imine is sourced from PubChem (CID 170111088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).