N-cyclohexa-2,4-dien-1-ylbutan-1-imine

C10H15N — CID 123247925

IUPACN-cyclohexa-2,4-dien-1-ylbutan-1-imine
SMILESCCC/C=N/C1C=CC=CC1
InChIInChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-7,9-10H,2-3,8H2,1H3/b11-9+
InChIKeyQKQVLONWFPXDDF-PKNBQFBNSA-N
MW149.24 g/mol
LogP2.74
Rot. Bonds3

About N-cyclohexa-2,4-dien-1-ylbutan-1-imine

N-cyclohexa-2,4-dien-1-ylbutan-1-imine (PubChem CID 123247925) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-ylbutan-1-imine.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-ylbutan-1-imine
PubChem CID123247925
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-cyclohexa-2,4-dien-1-ylbutan-1-imine
SMILESCCC/C=N/C1C=CC=CC1
InChIInChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-7,9-10H,2-3,8H2,1H3/b11-9+
InChIKeyQKQVLONWFPXDDF-PKNBQFBNSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.74
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-cyclohexa-2,4-dien-1-ylbutan-1-imine?
The IUPAC name of N-cyclohexa-2,4-dien-1-ylbutan-1-imine (CID 123247925) is N-cyclohexa-2,4-dien-1-ylbutan-1-imine.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-ylbutan-1-imine?
The canonical SMILES for N-cyclohexa-2,4-dien-1-ylbutan-1-imine is CCC/C=N/C1C=CC=CC1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-ylbutan-1-imine?
The InChIKey is QKQVLONWFPXDDF-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-7,9-10H,2-3,8H2,1H3/b11-9+.
What are the key properties of N-cyclohexa-2,4-dien-1-ylbutan-1-imine?
N-cyclohexa-2,4-dien-1-ylbutan-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-ylbutan-1-imine is sourced from PubChem (CID 123247925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).