(E)-N,N-dimethyl-5-methyliminohex-3-en-3-amine

C9H18N2 — CID 143487946

IUPAC(E)-N,N-dimethyl-5-methyliminohex-3-en-3-amine
SMILESCC/C(=C\C(C)=N\C)N(C)C
InChIInChI=1S/C9H18N2/c1-6-9(11(4)5)7-8(2)10-3/h7H,6H2,1-5H3/b9-7+,10-8+
InChIKeySYSSGTYOCJKJOS-FIFLTTCUSA-N
MW154.26 g/mol
LogP1.93
Rot. Bonds3

About (E)-N,N-dimethyl-5-methyliminohex-3-en-3-amine

(E)-N,N-dimethyl-5-methyliminohex-3-en-3-amine (PubChem CID 143487946) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (E)-N,N-dimethyl-5-methyliminohex-3-en-3-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-5-methyliminohex-3-en-3-amine
PubChem CID143487946
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(E)-N,N-dimethyl-5-methyliminohex-3-en-3-amine
SMILESCC/C(=C\C(C)=N\C)N(C)C
InChIInChI=1S/C9H18N2/c1-6-9(11(4)5)7-8(2)10-3/h7H,6H2,1-5H3/b9-7+,10-8+
InChIKeySYSSGTYOCJKJOS-FIFLTTCUSA-N
XLogP1.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.93
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

(Z)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782155
5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560383
(Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 88984410
ethyl-[(Z)-5-[ethyl(methyl)amino]-1,7-difluorohept-4-en-3-ylidene]-methylazanium
CID 156677165
[(Z)-5-(dimethylamino)-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium
CID 156677168
[(Z)-5-[ethyl(methyl)amino]-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium
CID 156677170
[(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium
CID 156677182
dimagnesium;hydride;bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 129892958
[(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium perchlorate
CID 134868405
manganese(2+);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 162406733
[(Z)-4-tert-butyliminopent-2-en-2-yl]-methylazanide
CID 58104802
methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide
CID 58104814

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-5-methyliminohex-3-en-3-amine?
The IUPAC name of (E)-N,N-dimethyl-5-methyliminohex-3-en-3-amine (CID 143487946) is (E)-N,N-dimethyl-5-methyliminohex-3-en-3-amine.
What is the SMILES notation for (E)-N,N-dimethyl-5-methyliminohex-3-en-3-amine?
The canonical SMILES for (E)-N,N-dimethyl-5-methyliminohex-3-en-3-amine is CC/C(=C\C(C)=N\C)N(C)C.
What is the InChIKey of (E)-N,N-dimethyl-5-methyliminohex-3-en-3-amine?
The InChIKey is SYSSGTYOCJKJOS-FIFLTTCUSA-N. The full InChI is InChI=1S/C9H18N2/c1-6-9(11(4)5)7-8(2)10-3/h7H,6H2,1-5H3/b9-7+,10-8+.
What are the key properties of (E)-N,N-dimethyl-5-methyliminohex-3-en-3-amine?
(E)-N,N-dimethyl-5-methyliminohex-3-en-3-amine has a molecular weight of 154.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-5-methyliminohex-3-en-3-amine is sourced from PubChem (CID 143487946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).