(3Z)-3-ethylidene-5-(3-iminopropyl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine

C15H24N2 — CID 170268958

IUPAC(3Z)-3-ethylidene-5-(3-iminopropyl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/CCC1=C(C)C(N)=C(C)/C(=C\C)C1(C)C
InChIInChI=1S/C15H24N2/c1-6-12-10(2)14(17)11(3)13(8-7-9-16)15(12,4)5/h6,9,16H,7-8,17H2,1-5H3/b12-6+,16-9+
InChIKeyGDAZKEMOSZKPMK-BKUNKUCPSA-N
MW232.37 g/mol
LogP3.95
Rot. Bonds3

About (3Z)-3-ethylidene-5-(3-iminopropyl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine

(3Z)-3-ethylidene-5-(3-iminopropyl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine (PubChem CID 170268958) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (3Z)-3-ethylidene-5-(3-iminopropyl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-5-(3-iminopropyl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine
PubChem CID170268958
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(3Z)-3-ethylidene-5-(3-iminopropyl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/CCC1=C(C)C(N)=C(C)/C(=C\C)C1(C)C
InChIInChI=1S/C15H24N2/c1-6-12-10(2)14(17)11(3)13(8-7-9-16)15(12,4)5/h6,9,16H,7-8,17H2,1-5H3/b12-6+,16-9+
InChIKeyGDAZKEMOSZKPMK-BKUNKUCPSA-N
XLogP3.95
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-3-ethylidene-5-(3-iminopropyl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine with MolForge

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Related Compounds

N-[4-[[4-(butylideneamino)-1,5-dimethylcyclohexa-2,4-dien-1-yl]methyl]-2,4-dimethylcyclohexa-1,5-dien-1-yl]butan-1-imine
CID 154143417
(3Z)-5-(3-iminoprop-1-en-2-yl)-2,4,4-trimethyl-3-(2-methylbutylidene)cyclohexa-1,5-dien-1-amine
CID 169688819
(3Z)-3-ethylidene-5-(3-ethyliminoprop-1-en-2-yl)-2,4,4-trimethylcyclohexa-1,5-dien-1-amine
CID 169688822
(3Z)-2-ethyl-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-4,4,6-trimethylcyclohexa-1,5-dien-1-amine
CID 170236994
(3Z)-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine
CID 170268876
(7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine
CID 143857333

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-5-(3-iminopropyl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of (3Z)-3-ethylidene-5-(3-iminopropyl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine (CID 170268958) is (3Z)-3-ethylidene-5-(3-iminopropyl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (3Z)-3-ethylidene-5-(3-iminopropyl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for (3Z)-3-ethylidene-5-(3-iminopropyl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine is [H]/N=C/CCC1=C(C)C(N)=C(C)/C(=C\C)C1(C)C.
What is the InChIKey of (3Z)-3-ethylidene-5-(3-iminopropyl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine?
The InChIKey is GDAZKEMOSZKPMK-BKUNKUCPSA-N. The full InChI is InChI=1S/C15H24N2/c1-6-12-10(2)14(17)11(3)13(8-7-9-16)15(12,4)5/h6,9,16H,7-8,17H2,1-5H3/b12-6+,16-9+.
What are the key properties of (3Z)-3-ethylidene-5-(3-iminopropyl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine?
(3Z)-3-ethylidene-5-(3-iminopropyl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-5-(3-iminopropyl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 170268958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).