N-cyclohexa-1,5-dien-1-ylmethanimine;ethane

C9H15N — CID 143918004

IUPACN-cyclohexa-1,5-dien-1-ylmethanimine;ethane
SMILESC=NC1=CCCC=C1.CC
InChIInChI=1S/C7H9N.C2H6/c1-8-7-5-3-2-4-6-7;1-2/h3,5-6H,1-2,4H2;1-2H3
InChIKeyDOGOXNCBPBZSFI-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds1

About N-cyclohexa-1,5-dien-1-ylmethanimine;ethane

N-cyclohexa-1,5-dien-1-ylmethanimine;ethane (PubChem CID 143918004) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-ylmethanimine;ethane.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-ylmethanimine;ethane
PubChem CID143918004
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-cyclohexa-1,5-dien-1-ylmethanimine;ethane
SMILESC=NC1=CCCC=C1.CC
InChIInChI=1S/C7H9N.C2H6/c1-8-7-5-3-2-4-6-7;1-2/h3,5-6H,1-2,4H2;1-2H3
InChIKeyDOGOXNCBPBZSFI-UHFFFAOYSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine
CID 70323185
N-[(Z,4E)-4-(2-fluorocyclohexa-2,4-dien-1-ylidene)pent-2-en-2-yl]methanimine
CID 145509789
N-cyclohexa-1,3-dien-1-ylmethanimine
CID 18317079
N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 21647338
N-(2-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 89001015
N-cyclohexa-1,5-dien-1-ylmethanimine
CID 89069304
N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine
CID 89246524
N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine
CID 89325079
N-[(5Z)-4-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-yl]methanimine
CID 89502555
N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine
CID 90857049
N-[(2Z,4Z)-hepta-2,4-dien-3-yl]ethanimine
CID 91364199
N-[(3Z,5Z)-octa-1,3,5-trien-2-yl]ethanimine
CID 118567334

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-ylmethanimine;ethane?
The IUPAC name of N-cyclohexa-1,5-dien-1-ylmethanimine;ethane (CID 143918004) is N-cyclohexa-1,5-dien-1-ylmethanimine;ethane.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-ylmethanimine;ethane?
The canonical SMILES for N-cyclohexa-1,5-dien-1-ylmethanimine;ethane is C=NC1=CCCC=C1.CC.
What is the InChIKey of N-cyclohexa-1,5-dien-1-ylmethanimine;ethane?
The InChIKey is DOGOXNCBPBZSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C2H6/c1-8-7-5-3-2-4-6-7;1-2/h3,5-6H,1-2,4H2;1-2H3.
What are the key properties of N-cyclohexa-1,5-dien-1-ylmethanimine;ethane?
N-cyclohexa-1,5-dien-1-ylmethanimine;ethane has a molecular weight of 137.23 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-ylmethanimine;ethane is sourced from PubChem (CID 143918004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).