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

C13H20N2 — CID 159526178

IUPACN,4,5-trimethyl-3-methylimino-6-propan-2-ylidenecyclohexa-1,4-dien-1-amine
SMILESC/N=C1\C=C(NC)C(=C(C)C)C(C)=C1C
InChIInChI=1S/C13H20N2/c1-8(2)13-10(4)9(3)11(14-5)7-12(13)15-6/h7,15H,1-6H3/b14-11+
InChIKeyJCGHEWHFOSVKTE-SDNWHVSQSA-N
MW204.32 g/mol
LogP2.85
Rot. Bonds1

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

N,4,5-trimethyl-3-methylimino-6-propan-2-ylidenecyclohexa-1,4-dien-1-amine (PubChem CID 159526178) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N,4,5-trimethyl-3-methylimino-6-propan-2-ylidenecyclohexa-1,4-dien-1-amine.

Molecular Properties

Compound NameN,4,5-trimethyl-3-methylimino-6-propan-2-ylidenecyclohexa-1,4-dien-1-amine
PubChem CID159526178
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN,4,5-trimethyl-3-methylimino-6-propan-2-ylidenecyclohexa-1,4-dien-1-amine
SMILESC/N=C1\C=C(NC)C(=C(C)C)C(C)=C1C
InChIInChI=1S/C13H20N2/c1-8(2)13-10(4)9(3)11(14-5)7-12(13)15-6/h7,15H,1-6H3/b14-11+
InChIKeyJCGHEWHFOSVKTE-SDNWHVSQSA-N
XLogP2.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
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,4,5-trimethyl-3-methylimino-6-propan-2-ylidenecyclohexa-1,4-dien-1-amine?
The IUPAC name of N,4,5-trimethyl-3-methylimino-6-propan-2-ylidenecyclohexa-1,4-dien-1-amine (CID 159526178) is N,4,5-trimethyl-3-methylimino-6-propan-2-ylidenecyclohexa-1,4-dien-1-amine.
What is the SMILES notation for N,4,5-trimethyl-3-methylimino-6-propan-2-ylidenecyclohexa-1,4-dien-1-amine?
The canonical SMILES for N,4,5-trimethyl-3-methylimino-6-propan-2-ylidenecyclohexa-1,4-dien-1-amine is C/N=C1\C=C(NC)C(=C(C)C)C(C)=C1C.
What is the InChIKey of N,4,5-trimethyl-3-methylimino-6-propan-2-ylidenecyclohexa-1,4-dien-1-amine?
The InChIKey is JCGHEWHFOSVKTE-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H20N2/c1-8(2)13-10(4)9(3)11(14-5)7-12(13)15-6/h7,15H,1-6H3/b14-11+.
What are the key properties of N,4,5-trimethyl-3-methylimino-6-propan-2-ylidenecyclohexa-1,4-dien-1-amine?
N,4,5-trimethyl-3-methylimino-6-propan-2-ylidenecyclohexa-1,4-dien-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-3-methylimino-6-propan-2-ylidenecyclohexa-1,4-dien-1-amine is sourced from PubChem (CID 159526178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).