(Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine

C11H14N2 — CID 88995130

IUPAC(Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine
SMILESC=N/C(CC)=c1/cccc/c1=C/N
InChIInChI=1S/C11H14N2/c1-3-11(13-2)10-7-5-4-6-9(10)8-12/h4-8H,2-3,12H2,1H3/b9-8-,11-10-
InChIKeyRQSRZCFHWVBBMG-XESWYYRISA-N
MW174.25 g/mol
LogP0.60
Rot. Bonds2

About (Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine

(Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine (PubChem CID 88995130) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine.

Molecular Properties

Compound Name(Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine
PubChem CID88995130
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine
SMILESC=N/C(CC)=c1/cccc/c1=C/N
InChIInChI=1S/C11H14N2/c1-3-11(13-2)10-7-5-4-6-9(10)8-12/h4-8H,2-3,12H2,1H3/b9-8-,11-10-
InChIKeyRQSRZCFHWVBBMG-XESWYYRISA-N
XLogP0.60
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine?
The IUPAC name of (Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine (CID 88995130) is (Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine.
What is the SMILES notation for (Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine?
The canonical SMILES for (Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine is C=N/C(CC)=c1/cccc/c1=C/N.
What is the InChIKey of (Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine?
The InChIKey is RQSRZCFHWVBBMG-XESWYYRISA-N. The full InChI is InChI=1S/C11H14N2/c1-3-11(13-2)10-7-5-4-6-9(10)8-12/h4-8H,2-3,12H2,1H3/b9-8-,11-10-.
What are the key properties of (Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine?
(Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine has a molecular weight of 174.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine is sourced from PubChem (CID 88995130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).