4-ethenyl-N,N,5-trimethyl-3-methyliminohex-4-en-1-amine

C12H22N2 — CID 167256362

IUPAC4-ethenyl-N,N,5-trimethyl-3-methyliminohex-4-en-1-amine
SMILESC=CC(=C(C)C)/C(CCN(C)C)=N/C
InChIInChI=1S/C12H22N2/c1-7-11(10(2)3)12(13-4)8-9-14(5)6/h7H,1,8-9H2,2-6H3/b13-12+
InChIKeyGNRPMIYBHLFCSN-OUKQBFOZSA-N
MW194.32 g/mol
LogP2.53
Rot. Bonds5

About 4-ethenyl-N,N,5-trimethyl-3-methyliminohex-4-en-1-amine

4-ethenyl-N,N,5-trimethyl-3-methyliminohex-4-en-1-amine (PubChem CID 167256362) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-ethenyl-N,N,5-trimethyl-3-methyliminohex-4-en-1-amine.

Molecular Properties

Compound Name4-ethenyl-N,N,5-trimethyl-3-methyliminohex-4-en-1-amine
PubChem CID167256362
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4-ethenyl-N,N,5-trimethyl-3-methyliminohex-4-en-1-amine
SMILESC=CC(=C(C)C)/C(CCN(C)C)=N/C
InChIInChI=1S/C12H22N2/c1-7-11(10(2)3)12(13-4)8-9-14(5)6/h7H,1,8-9H2,2-6H3/b13-12+
InChIKeyGNRPMIYBHLFCSN-OUKQBFOZSA-N
XLogP2.53
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N,N,5-trimethyl-3-methyliminohex-4-en-1-amine?
The IUPAC name of 4-ethenyl-N,N,5-trimethyl-3-methyliminohex-4-en-1-amine (CID 167256362) is 4-ethenyl-N,N,5-trimethyl-3-methyliminohex-4-en-1-amine.
What is the SMILES notation for 4-ethenyl-N,N,5-trimethyl-3-methyliminohex-4-en-1-amine?
The canonical SMILES for 4-ethenyl-N,N,5-trimethyl-3-methyliminohex-4-en-1-amine is C=CC(=C(C)C)/C(CCN(C)C)=N/C.
What is the InChIKey of 4-ethenyl-N,N,5-trimethyl-3-methyliminohex-4-en-1-amine?
The InChIKey is GNRPMIYBHLFCSN-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H22N2/c1-7-11(10(2)3)12(13-4)8-9-14(5)6/h7H,1,8-9H2,2-6H3/b13-12+.
What are the key properties of 4-ethenyl-N,N,5-trimethyl-3-methyliminohex-4-en-1-amine?
4-ethenyl-N,N,5-trimethyl-3-methyliminohex-4-en-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N,N,5-trimethyl-3-methyliminohex-4-en-1-amine is sourced from PubChem (CID 167256362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).