N,N,2,5,6-pentamethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine

C15H24N2 — CID 170025166

IUPACN,N,2,5,6-pentamethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine
SMILESC/N=C1\C(C)=C(N(C)C)C(C)=C(C)C1=C(C)C
InChIInChI=1S/C15H24N2/c1-9(2)13-10(3)11(4)15(17(7)8)12(5)14(13)16-6/h1-8H3/b16-14+
InChIKeyBESLYFYKAFQXFB-JQIJEIRASA-N
MW232.37 g/mol
LogP3.58
Rot. Bonds1

About N,N,2,5,6-pentamethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine

N,N,2,5,6-pentamethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine (PubChem CID 170025166) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N,N,2,5,6-pentamethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN,N,2,5,6-pentamethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine
PubChem CID170025166
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN,N,2,5,6-pentamethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine
SMILESC/N=C1\C(C)=C(N(C)C)C(C)=C(C)C1=C(C)C
InChIInChI=1S/C15H24N2/c1-9(2)13-10(3)11(4)15(17(7)8)12(5)14(13)16-6/h1-8H3/b16-14+
InChIKeyBESLYFYKAFQXFB-JQIJEIRASA-N
XLogP3.58
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
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 N,N,2,5,6-pentamethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine?
The IUPAC name of N,N,2,5,6-pentamethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine (CID 170025166) is N,N,2,5,6-pentamethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N,N,2,5,6-pentamethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine?
The canonical SMILES for N,N,2,5,6-pentamethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine is C/N=C1\C(C)=C(N(C)C)C(C)=C(C)C1=C(C)C.
What is the InChIKey of N,N,2,5,6-pentamethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine?
The InChIKey is BESLYFYKAFQXFB-JQIJEIRASA-N. The full InChI is InChI=1S/C15H24N2/c1-9(2)13-10(3)11(4)15(17(7)8)12(5)14(13)16-6/h1-8H3/b16-14+.
What are the key properties of N,N,2,5,6-pentamethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine?
N,N,2,5,6-pentamethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,5,6-pentamethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 170025166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).