ethane;(E)-N-ethenyl-4-methyl-2-methyliminohex-3-en-3-amine

C12H24N2 — CID 143699578

IUPACethane;(E)-N-ethenyl-4-methyl-2-methyliminohex-3-en-3-amine
SMILESC=CNC(/C(C)=N/C)=C(\C)CC.CC
InChIInChI=1S/C10H18N2.C2H6/c1-6-8(3)10(12-7-2)9(4)11-5;1-2/h7,12H,2,6H2,1,3-5H3;1-2H3/b10-8+,11-9+;
InChIKeyKJHWTOFNADLRHA-HUISGVMCSA-N
MW196.34 g/mol
LogP3.52
Rot. Bonds4

About ethane;(E)-N-ethenyl-4-methyl-2-methyliminohex-3-en-3-amine

ethane;(E)-N-ethenyl-4-methyl-2-methyliminohex-3-en-3-amine (PubChem CID 143699578) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is ethane;(E)-N-ethenyl-4-methyl-2-methyliminohex-3-en-3-amine.

Molecular Properties

Compound Nameethane;(E)-N-ethenyl-4-methyl-2-methyliminohex-3-en-3-amine
PubChem CID143699578
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Nameethane;(E)-N-ethenyl-4-methyl-2-methyliminohex-3-en-3-amine
SMILESC=CNC(/C(C)=N/C)=C(\C)CC.CC
InChIInChI=1S/C10H18N2.C2H6/c1-6-8(3)10(12-7-2)9(4)11-5;1-2/h7,12H,2,6H2,1,3-5H3;1-2H3/b10-8+,11-9+;
InChIKeyKJHWTOFNADLRHA-HUISGVMCSA-N
XLogP3.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.52
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 ethane;(E)-N-ethenyl-4-methyl-2-methyliminohex-3-en-3-amine?
The IUPAC name of ethane;(E)-N-ethenyl-4-methyl-2-methyliminohex-3-en-3-amine (CID 143699578) is ethane;(E)-N-ethenyl-4-methyl-2-methyliminohex-3-en-3-amine.
What is the SMILES notation for ethane;(E)-N-ethenyl-4-methyl-2-methyliminohex-3-en-3-amine?
The canonical SMILES for ethane;(E)-N-ethenyl-4-methyl-2-methyliminohex-3-en-3-amine is C=CNC(/C(C)=N/C)=C(\C)CC.CC.
What is the InChIKey of ethane;(E)-N-ethenyl-4-methyl-2-methyliminohex-3-en-3-amine?
The InChIKey is KJHWTOFNADLRHA-HUISGVMCSA-N. The full InChI is InChI=1S/C10H18N2.C2H6/c1-6-8(3)10(12-7-2)9(4)11-5;1-2/h7,12H,2,6H2,1,3-5H3;1-2H3/b10-8+,11-9+;.
What are the key properties of ethane;(E)-N-ethenyl-4-methyl-2-methyliminohex-3-en-3-amine?
ethane;(E)-N-ethenyl-4-methyl-2-methyliminohex-3-en-3-amine has a molecular weight of 196.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-ethenyl-4-methyl-2-methyliminohex-3-en-3-amine is sourced from PubChem (CID 143699578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).