N,N-dimethyl-4-(2-methyliminoethyl)cyclohexa-2,4-dien-1-amine

C11H18N2 — CID 123556060

IUPACN,N-dimethyl-4-(2-methyliminoethyl)cyclohexa-2,4-dien-1-amine
SMILESC/N=C/CC1=CCC(N(C)C)C=C1
InChIInChI=1S/C11H18N2/c1-12-9-8-10-4-6-11(7-5-10)13(2)3/h4-6,9,11H,7-8H2,1-3H3/b12-9+
InChIKeyARAVCKMZWQTSPE-FMIVXFBMSA-N
MW178.28 g/mol
LogP1.89
Rot. Bonds3

About N,N-dimethyl-4-(2-methyliminoethyl)cyclohexa-2,4-dien-1-amine

N,N-dimethyl-4-(2-methyliminoethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 123556060) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-methyliminoethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-methyliminoethyl)cyclohexa-2,4-dien-1-amine
PubChem CID123556060
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN,N-dimethyl-4-(2-methyliminoethyl)cyclohexa-2,4-dien-1-amine
SMILESC/N=C/CC1=CCC(N(C)C)C=C1
InChIInChI=1S/C11H18N2/c1-12-9-8-10-4-6-11(7-5-10)13(2)3/h4-6,9,11H,7-8H2,1-3H3/b12-9+
InChIKeyARAVCKMZWQTSPE-FMIVXFBMSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-but-2-enylidene-2-methyl-2H-pyridine
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N-(6-cyclohexa-2,4-dien-1-ylhexa-1,5-dien-3-yl)propan-1-imine
CID 123224062
2-methyl-3-penta-2,3-dienylidene-2H-pyridine
CID 123245752
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-methyliminoethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of N,N-dimethyl-4-(2-methyliminoethyl)cyclohexa-2,4-dien-1-amine (CID 123556060) is N,N-dimethyl-4-(2-methyliminoethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(2-methyliminoethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N,N-dimethyl-4-(2-methyliminoethyl)cyclohexa-2,4-dien-1-amine is C/N=C/CC1=CCC(N(C)C)C=C1.
What is the InChIKey of N,N-dimethyl-4-(2-methyliminoethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is ARAVCKMZWQTSPE-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H18N2/c1-12-9-8-10-4-6-11(7-5-10)13(2)3/h4-6,9,11H,7-8H2,1-3H3/b12-9+.
What are the key properties of N,N-dimethyl-4-(2-methyliminoethyl)cyclohexa-2,4-dien-1-amine?
N,N-dimethyl-4-(2-methyliminoethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 178.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-methyliminoethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 123556060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).