(3Z)-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine

C15H22N2 — CID 170268876

IUPAC(3Z)-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/C(=C)C1=C(C)C(N)=C(C)/C(=C\C)C1(C)C
InChIInChI=1S/C15H22N2/c1-7-12-10(3)14(17)11(4)13(9(2)8-16)15(12,5)6/h7-8,16H,2,17H2,1,3-6H3/b12-7+,16-8+
InChIKeyIKHDQMAOSSNJFZ-LFBPKNJISA-N
MW230.35 g/mol
LogP3.73
Rot. Bonds2

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

(3Z)-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine (PubChem CID 170268876) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (3Z)-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine
PubChem CID170268876
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(3Z)-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/C(=C)C1=C(C)C(N)=C(C)/C(=C\C)C1(C)C
InChIInChI=1S/C15H22N2/c1-7-12-10(3)14(17)11(4)13(9(2)8-16)15(12,5)6/h7-8,16H,2,17H2,1,3-6H3/b12-7+,16-8+
InChIKeyIKHDQMAOSSNJFZ-LFBPKNJISA-N
XLogP3.73
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.73
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 (3Z)-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of (3Z)-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine (CID 170268876) is (3Z)-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (3Z)-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for (3Z)-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine is [H]/N=C/C(=C)C1=C(C)C(N)=C(C)/C(=C\C)C1(C)C.
What is the InChIKey of (3Z)-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine?
The InChIKey is IKHDQMAOSSNJFZ-LFBPKNJISA-N. The full InChI is InChI=1S/C15H22N2/c1-7-12-10(3)14(17)11(4)13(9(2)8-16)15(12,5)6/h7-8,16H,2,17H2,1,3-6H3/b12-7+,16-8+.
What are the key properties of (3Z)-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine?
(3Z)-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine has a molecular weight of 230.35 g/mol, XLogP of 3.73, 2 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-iminoprop-1-en-2-yl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 170268876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).