(Z)-4-imino-4-(1-methylcyclohexa-2,4-dien-1-yl)but-2-en-2-amine

C11H16N2 — CID 143438382

IUPAC(Z)-4-imino-4-(1-methylcyclohexa-2,4-dien-1-yl)but-2-en-2-amine
SMILES[H]/N=C(\C=C(\C)N)C1(C)C=CC=CC1
InChIInChI=1S/C11H16N2/c1-9(12)8-10(13)11(2)6-4-3-5-7-11/h3-6,8,13H,7,12H2,1-2H3/b9-8-,13-10+
InChIKeyXJEKIRBTNZCZRF-JQHRQWORSA-N
MW176.26 g/mol
LogP2.39
Rot. Bonds2

About (Z)-4-imino-4-(1-methylcyclohexa-2,4-dien-1-yl)but-2-en-2-amine

(Z)-4-imino-4-(1-methylcyclohexa-2,4-dien-1-yl)but-2-en-2-amine (PubChem CID 143438382) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (Z)-4-imino-4-(1-methylcyclohexa-2,4-dien-1-yl)but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-imino-4-(1-methylcyclohexa-2,4-dien-1-yl)but-2-en-2-amine
PubChem CID143438382
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(Z)-4-imino-4-(1-methylcyclohexa-2,4-dien-1-yl)but-2-en-2-amine
SMILES[H]/N=C(\C=C(\C)N)C1(C)C=CC=CC1
InChIInChI=1S/C11H16N2/c1-9(12)8-10(13)11(2)6-4-3-5-7-11/h3-6,8,13H,7,12H2,1-2H3/b9-8-,13-10+
InChIKeyXJEKIRBTNZCZRF-JQHRQWORSA-N
XLogP2.39
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.39
H-Bond Donors ≤ 52
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)-4-imino-4-(1-methylcyclohexa-2,4-dien-1-yl)but-2-en-2-amine?
The IUPAC name of (Z)-4-imino-4-(1-methylcyclohexa-2,4-dien-1-yl)but-2-en-2-amine (CID 143438382) is (Z)-4-imino-4-(1-methylcyclohexa-2,4-dien-1-yl)but-2-en-2-amine.
What is the SMILES notation for (Z)-4-imino-4-(1-methylcyclohexa-2,4-dien-1-yl)but-2-en-2-amine?
The canonical SMILES for (Z)-4-imino-4-(1-methylcyclohexa-2,4-dien-1-yl)but-2-en-2-amine is [H]/N=C(\C=C(\C)N)C1(C)C=CC=CC1.
What is the InChIKey of (Z)-4-imino-4-(1-methylcyclohexa-2,4-dien-1-yl)but-2-en-2-amine?
The InChIKey is XJEKIRBTNZCZRF-JQHRQWORSA-N. The full InChI is InChI=1S/C11H16N2/c1-9(12)8-10(13)11(2)6-4-3-5-7-11/h3-6,8,13H,7,12H2,1-2H3/b9-8-,13-10+.
What are the key properties of (Z)-4-imino-4-(1-methylcyclohexa-2,4-dien-1-yl)but-2-en-2-amine?
(Z)-4-imino-4-(1-methylcyclohexa-2,4-dien-1-yl)but-2-en-2-amine has a molecular weight of 176.26 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-4-(1-methylcyclohexa-2,4-dien-1-yl)but-2-en-2-amine is sourced from PubChem (CID 143438382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).