(3E)-3-ethyl-2-imino-N-methylhexa-3,5-dien-1-amine;5-methylcyclohexa-1,3-diene

C16H26N2 — CID 145198925

IUPAC(3E)-3-ethyl-2-imino-N-methylhexa-3,5-dien-1-amine;5-methylcyclohexa-1,3-diene
SMILESCC1C=CC=CC1.[H]/N=C(CNC)/C(=C/C=C)CC
InChIInChI=1S/C9H16N2.C7H10/c1-4-6-8(5-2)9(10)7-11-3;1-7-5-3-2-4-6-7/h4,6,10-11H,1,5,7H2,2-3H3;2-5,7H,6H2,1H3/b8-6+,10-9+;
InChIKeyGACRBYUCTBZVEB-JTBRFJDCSA-N
MW246.40 g/mol
LogP3.89
Rot. Bonds5

About (3E)-3-ethyl-2-imino-N-methylhexa-3,5-dien-1-amine;5-methylcyclohexa-1,3-diene

(3E)-3-ethyl-2-imino-N-methylhexa-3,5-dien-1-amine;5-methylcyclohexa-1,3-diene (PubChem CID 145198925) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (3E)-3-ethyl-2-imino-N-methylhexa-3,5-dien-1-amine;5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(3E)-3-ethyl-2-imino-N-methylhexa-3,5-dien-1-amine;5-methylcyclohexa-1,3-diene
PubChem CID145198925
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(3E)-3-ethyl-2-imino-N-methylhexa-3,5-dien-1-amine;5-methylcyclohexa-1,3-diene
SMILESCC1C=CC=CC1.[H]/N=C(CNC)/C(=C/C=C)CC
InChIInChI=1S/C9H16N2.C7H10/c1-4-6-8(5-2)9(10)7-11-3;1-7-5-3-2-4-6-7/h4,6,10-11H,1,5,7H2,2-3H3;2-5,7H,6H2,1H3/b8-6+,10-9+;
InChIKeyGACRBYUCTBZVEB-JTBRFJDCSA-N
XLogP3.89
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-3-ethyl-2-imino-N-methylhexa-3,5-dien-1-amine;5-methylcyclohexa-1,3-diene with MolForge

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Launch Full Analysis

Related Compounds

(5E,7Z)-10,10,10-trifluoro-9-imino-N,2,6-trimethyldeca-5,7-dien-1-amine
CID 156837554
3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine
CID 90691312
N-methyl-1-[6-[(Z)-3-methylidene-6-methyliminohept-4-en-2-yl]cyclohexa-1,5-dien-1-yl]ethanamine
CID 91045781
(4Z,7Z)-6-ethylimino-N,2-dimethyl-7-propan-2-ylnona-4,7-dien-1-amine
CID 123139515
N-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine
CID 123382168
5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine
CID 123745497
(5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine
CID 123845307
2-Methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine
CID 131966479
3-(3,5-dimethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-2-methyliminopropan-1-amine
CID 138528564
ethane;ethene;(5Z)-2-ethenyl-3-ethyl-N-methyl-5-[(Z)-5-methyl-4-methylidenehex-2-enylidene]cyclohex-2-en-1-imine;heptane;N-methylbutan-1-amine;propane
CID 142047009
6-imino-N-methyl-2-[(Z)-prop-1-enyl]cyclohexen-1-amine
CID 142339835
(Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen
CID 143621274

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethyl-2-imino-N-methylhexa-3,5-dien-1-amine;5-methylcyclohexa-1,3-diene?
The IUPAC name of (3E)-3-ethyl-2-imino-N-methylhexa-3,5-dien-1-amine;5-methylcyclohexa-1,3-diene (CID 145198925) is (3E)-3-ethyl-2-imino-N-methylhexa-3,5-dien-1-amine;5-methylcyclohexa-1,3-diene.
What is the SMILES notation for (3E)-3-ethyl-2-imino-N-methylhexa-3,5-dien-1-amine;5-methylcyclohexa-1,3-diene?
The canonical SMILES for (3E)-3-ethyl-2-imino-N-methylhexa-3,5-dien-1-amine;5-methylcyclohexa-1,3-diene is CC1C=CC=CC1.[H]/N=C(CNC)/C(=C/C=C)CC.
What is the InChIKey of (3E)-3-ethyl-2-imino-N-methylhexa-3,5-dien-1-amine;5-methylcyclohexa-1,3-diene?
The InChIKey is GACRBYUCTBZVEB-JTBRFJDCSA-N. The full InChI is InChI=1S/C9H16N2.C7H10/c1-4-6-8(5-2)9(10)7-11-3;1-7-5-3-2-4-6-7/h4,6,10-11H,1,5,7H2,2-3H3;2-5,7H,6H2,1H3/b8-6+,10-9+;.
What are the key properties of (3E)-3-ethyl-2-imino-N-methylhexa-3,5-dien-1-amine;5-methylcyclohexa-1,3-diene?
(3E)-3-ethyl-2-imino-N-methylhexa-3,5-dien-1-amine;5-methylcyclohexa-1,3-diene has a molecular weight of 246.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethyl-2-imino-N-methylhexa-3,5-dien-1-amine;5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 145198925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).