N-[(Z)-(6-imino-2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-N-methylethanamine

C11H16N2 — CID 130225371

IUPACN-[(Z)-(6-imino-2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-N-methylethanamine
SMILES[H]/N=C1\C=CC=C(C)\C1=C\N(C)CC
InChIInChI=1S/C11H16N2/c1-4-13(3)8-10-9(2)6-5-7-11(10)12/h5-8,12H,4H2,1-3H3/b10-8-,12-11+
InChIKeyRAGXONGYXVEOFQ-SHCMDWHWSA-N
MW176.26 g/mol
LogP2.36
Rot. Bonds2

About N-[(Z)-(6-imino-2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-N-methylethanamine

N-[(Z)-(6-imino-2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-N-methylethanamine (PubChem CID 130225371) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-[(Z)-(6-imino-2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[(Z)-(6-imino-2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-N-methylethanamine
PubChem CID130225371
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-[(Z)-(6-imino-2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-N-methylethanamine
SMILES[H]/N=C1\C=CC=C(C)\C1=C\N(C)CC
InChIInChI=1S/C11H16N2/c1-4-13(3)8-10-9(2)6-5-7-11(10)12/h5-8,12H,4H2,1-3H3/b10-8-,12-11+
InChIKeyRAGXONGYXVEOFQ-SHCMDWHWSA-N
XLogP2.36
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.36
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-[(Z)-(6-imino-2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-N-methylethanamine?
The IUPAC name of N-[(Z)-(6-imino-2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-N-methylethanamine (CID 130225371) is N-[(Z)-(6-imino-2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-N-methylethanamine.
What is the SMILES notation for N-[(Z)-(6-imino-2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-N-methylethanamine?
The canonical SMILES for N-[(Z)-(6-imino-2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-N-methylethanamine is [H]/N=C1\C=CC=C(C)\C1=C\N(C)CC.
What is the InChIKey of N-[(Z)-(6-imino-2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-N-methylethanamine?
The InChIKey is RAGXONGYXVEOFQ-SHCMDWHWSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-13(3)8-10-9(2)6-5-7-11(10)12/h5-8,12H,4H2,1-3H3/b10-8-,12-11+.
What are the key properties of N-[(Z)-(6-imino-2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-N-methylethanamine?
N-[(Z)-(6-imino-2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-N-methylethanamine has a molecular weight of 176.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(6-imino-2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-N-methylethanamine is sourced from PubChem (CID 130225371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).