N-(cyclohexa-2,4-dien-1-ylidenemethyl)prop-2-en-1-imine;ethane

C16H29N — CID 91038620

IUPACN-(cyclohexa-2,4-dien-1-ylidenemethyl)prop-2-en-1-imine;ethane
SMILESC=C/C=N/C=C1C=CC=CC1.CC.CC.CC
InChIInChI=1S/C10H11N.3C2H6/c1-2-8-11-9-10-6-4-3-5-7-10;3*1-2/h2-6,8-9H,1,7H2;3*1-2H3/b10-9?,11-8+;;;
InChIKeyNLMFKHXICWBEON-MSLGLIDESA-N
MW235.41 g/mol
LogP5.72
Rot. Bonds2

About N-(cyclohexa-2,4-dien-1-ylidenemethyl)prop-2-en-1-imine;ethane

N-(cyclohexa-2,4-dien-1-ylidenemethyl)prop-2-en-1-imine;ethane (PubChem CID 91038620) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-(cyclohexa-2,4-dien-1-ylidenemethyl)prop-2-en-1-imine;ethane.

Molecular Properties

Compound NameN-(cyclohexa-2,4-dien-1-ylidenemethyl)prop-2-en-1-imine;ethane
PubChem CID91038620
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-(cyclohexa-2,4-dien-1-ylidenemethyl)prop-2-en-1-imine;ethane
SMILESC=C/C=N/C=C1C=CC=CC1.CC.CC.CC
InChIInChI=1S/C10H11N.3C2H6/c1-2-8-11-9-10-6-4-3-5-7-10;3*1-2/h2-6,8-9H,1,7H2;3*1-2H3/b10-9?,11-8+;;;
InChIKeyNLMFKHXICWBEON-MSLGLIDESA-N
XLogP5.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.72
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-ylidenemethyl)prop-2-en-1-imine;ethane?
The IUPAC name of N-(cyclohexa-2,4-dien-1-ylidenemethyl)prop-2-en-1-imine;ethane (CID 91038620) is N-(cyclohexa-2,4-dien-1-ylidenemethyl)prop-2-en-1-imine;ethane.
What is the SMILES notation for N-(cyclohexa-2,4-dien-1-ylidenemethyl)prop-2-en-1-imine;ethane?
The canonical SMILES for N-(cyclohexa-2,4-dien-1-ylidenemethyl)prop-2-en-1-imine;ethane is C=C/C=N/C=C1C=CC=CC1.CC.CC.CC.
What is the InChIKey of N-(cyclohexa-2,4-dien-1-ylidenemethyl)prop-2-en-1-imine;ethane?
The InChIKey is NLMFKHXICWBEON-MSLGLIDESA-N. The full InChI is InChI=1S/C10H11N.3C2H6/c1-2-8-11-9-10-6-4-3-5-7-10;3*1-2/h2-6,8-9H,1,7H2;3*1-2H3/b10-9?,11-8+;;;.
What are the key properties of N-(cyclohexa-2,4-dien-1-ylidenemethyl)prop-2-en-1-imine;ethane?
N-(cyclohexa-2,4-dien-1-ylidenemethyl)prop-2-en-1-imine;ethane has a molecular weight of 235.41 g/mol, XLogP of 5.72, 2 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-ylidenemethyl)prop-2-en-1-imine;ethane is sourced from PubChem (CID 91038620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).