(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-N-methylbut-1-en-1-amine

C11H15N — CID 122595809

IUPAC(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-N-methylbut-1-en-1-amine
SMILESCN/C=C\C(C)=C1\C=CC=CC1
InChIInChI=1S/C11H15N/c1-10(8-9-12-2)11-6-4-3-5-7-11/h3-6,8-9,12H,7H2,1-2H3/b9-8-,11-10-
InChIKeyABTJZGUZSKFOQV-XESWYYRISA-N
MW161.25 g/mol
LogP2.55
Rot. Bonds2

About (Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-N-methylbut-1-en-1-amine

(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-N-methylbut-1-en-1-amine (PubChem CID 122595809) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-N-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-N-methylbut-1-en-1-amine
PubChem CID122595809
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-N-methylbut-1-en-1-amine
SMILESCN/C=C\C(C)=C1\C=CC=CC1
InChIInChI=1S/C11H15N/c1-10(8-9-12-2)11-6-4-3-5-7-11/h3-6,8-9,12H,7H2,1-2H3/b9-8-,11-10-
InChIKeyABTJZGUZSKFOQV-XESWYYRISA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-N-methylbut-1-en-1-amine?
The IUPAC name of (Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-N-methylbut-1-en-1-amine (CID 122595809) is (Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-N-methylbut-1-en-1-amine.
What is the SMILES notation for (Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-N-methylbut-1-en-1-amine?
The canonical SMILES for (Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-N-methylbut-1-en-1-amine is CN/C=C\C(C)=C1\C=CC=CC1.
What is the InChIKey of (Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-N-methylbut-1-en-1-amine?
The InChIKey is ABTJZGUZSKFOQV-XESWYYRISA-N. The full InChI is InChI=1S/C11H15N/c1-10(8-9-12-2)11-6-4-3-5-7-11/h3-6,8-9,12H,7H2,1-2H3/b9-8-,11-10-.
What are the key properties of (Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-N-methylbut-1-en-1-amine?
(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-N-methylbut-1-en-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-N-methylbut-1-en-1-amine is sourced from PubChem (CID 122595809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).