(3Z)-N,N,2,6,6-pentamethyl-5-methyliminohepta-1,3-dien-3-amine

C13H24N2 — CID 88945024

IUPAC(3Z)-N,N,2,6,6-pentamethyl-5-methyliminohepta-1,3-dien-3-amine
SMILESC=C(C)/C(=C/C(=N/C)C(C)(C)C)N(C)C
InChIInChI=1S/C13H24N2/c1-10(2)11(15(7)8)9-12(14-6)13(3,4)5/h9H,1H2,2-8H3/b11-9-,14-12-
InChIKeyIURURMHVYXOFMF-YJKQCFOZSA-N
MW208.35 g/mol
LogP3.12
Rot. Bonds3

About (3Z)-N,N,2,6,6-pentamethyl-5-methyliminohepta-1,3-dien-3-amine

(3Z)-N,N,2,6,6-pentamethyl-5-methyliminohepta-1,3-dien-3-amine (PubChem CID 88945024) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (3Z)-N,N,2,6,6-pentamethyl-5-methyliminohepta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3Z)-N,N,2,6,6-pentamethyl-5-methyliminohepta-1,3-dien-3-amine
PubChem CID88945024
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(3Z)-N,N,2,6,6-pentamethyl-5-methyliminohepta-1,3-dien-3-amine
SMILESC=C(C)/C(=C/C(=N/C)C(C)(C)C)N(C)C
InChIInChI=1S/C13H24N2/c1-10(2)11(15(7)8)9-12(14-6)13(3,4)5/h9H,1H2,2-8H3/b11-9-,14-12-
InChIKeyIURURMHVYXOFMF-YJKQCFOZSA-N
XLogP3.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N,N,2,6,6-pentamethyl-5-methyliminohepta-1,3-dien-3-amine?
The IUPAC name of (3Z)-N,N,2,6,6-pentamethyl-5-methyliminohepta-1,3-dien-3-amine (CID 88945024) is (3Z)-N,N,2,6,6-pentamethyl-5-methyliminohepta-1,3-dien-3-amine.
What is the SMILES notation for (3Z)-N,N,2,6,6-pentamethyl-5-methyliminohepta-1,3-dien-3-amine?
The canonical SMILES for (3Z)-N,N,2,6,6-pentamethyl-5-methyliminohepta-1,3-dien-3-amine is C=C(C)/C(=C/C(=N/C)C(C)(C)C)N(C)C.
What is the InChIKey of (3Z)-N,N,2,6,6-pentamethyl-5-methyliminohepta-1,3-dien-3-amine?
The InChIKey is IURURMHVYXOFMF-YJKQCFOZSA-N. The full InChI is InChI=1S/C13H24N2/c1-10(2)11(15(7)8)9-12(14-6)13(3,4)5/h9H,1H2,2-8H3/b11-9-,14-12-.
What are the key properties of (3Z)-N,N,2,6,6-pentamethyl-5-methyliminohepta-1,3-dien-3-amine?
(3Z)-N,N,2,6,6-pentamethyl-5-methyliminohepta-1,3-dien-3-amine has a molecular weight of 208.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,N,2,6,6-pentamethyl-5-methyliminohepta-1,3-dien-3-amine is sourced from PubChem (CID 88945024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).