N-(but-3-en-2-ylideneamino)-N-methylcyclohexa-2,4-dien-1-amine

C11H16N2 — CID 123792832

IUPACN-(but-3-en-2-ylideneamino)-N-methylcyclohexa-2,4-dien-1-amine
SMILESC=CC(C)=NN(C)C1C=CC=CC1
InChIInChI=1S/C11H16N2/c1-4-10(2)12-13(3)11-8-6-5-7-9-11/h4-8,11H,1,9H2,2-3H3
InChIKeyJMZBAXTUANXVNK-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.36
Rot. Bonds3

About N-(but-3-en-2-ylideneamino)-N-methylcyclohexa-2,4-dien-1-amine

N-(but-3-en-2-ylideneamino)-N-methylcyclohexa-2,4-dien-1-amine (PubChem CID 123792832) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-(but-3-en-2-ylideneamino)-N-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-(but-3-en-2-ylideneamino)-N-methylcyclohexa-2,4-dien-1-amine
PubChem CID123792832
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-(but-3-en-2-ylideneamino)-N-methylcyclohexa-2,4-dien-1-amine
SMILESC=CC(C)=NN(C)C1C=CC=CC1
InChIInChI=1S/C11H16N2/c1-4-10(2)12-13(3)11-8-6-5-7-9-11/h4-8,11H,1,9H2,2-3H3
InChIKeyJMZBAXTUANXVNK-UHFFFAOYSA-N
XLogP2.36
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diazodimethylanilin
CID 87638682
2,6-dimethyl-3H-pyridazine
CID 12200750
2,3,6-trimethyl-3H-pyridazine
CID 12200751
6-diazo-N,N-dipropylcyclohexa-2,4-dien-1-amine
CID 88653155
N-[[6-(dimethylhydrazinylidene)cyclohexa-2,4-dien-1-ylidene]amino]-N-methylmethanamine
CID 89455981
N-methyl-N-(3-methylnona-3,5-dien-2-ylideneamino)propan-2-amine
CID 123449552
N-methyl-N-(3-methylidenehex-4-en-2-ylideneamino)ethanamine
CID 123591443
6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline
CID 123729667
7-Ethyl-2,3-dimethyl-3,4-dihydrodiazepine
CID 134257675
2,7-Diethyl-3-methyl-3,4-dihydrodiazepine
CID 134257690
N-methyl-N-[(E)-[(Z)-pent-3-en-2-ylidene]amino]ethanamine
CID 135202718
Methyl-(6-methyliminocyclohexa-2,4-dien-1-yl)azanide
CID 141772943

Frequently Asked Questions

What is the IUPAC name of N-(but-3-en-2-ylideneamino)-N-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-(but-3-en-2-ylideneamino)-N-methylcyclohexa-2,4-dien-1-amine (CID 123792832) is N-(but-3-en-2-ylideneamino)-N-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-(but-3-en-2-ylideneamino)-N-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-(but-3-en-2-ylideneamino)-N-methylcyclohexa-2,4-dien-1-amine is C=CC(C)=NN(C)C1C=CC=CC1.
What is the InChIKey of N-(but-3-en-2-ylideneamino)-N-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is JMZBAXTUANXVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-10(2)12-13(3)11-8-6-5-7-9-11/h4-8,11H,1,9H2,2-3H3.
What are the key properties of N-(but-3-en-2-ylideneamino)-N-methylcyclohexa-2,4-dien-1-amine?
N-(but-3-en-2-ylideneamino)-N-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 176.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(but-3-en-2-ylideneamino)-N-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 123792832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).