(1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine

C17H27N3 — CID 135142657

IUPAC(1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine
SMILESC/C=C\C(C)=c1\c(=C/N(C)C)nc(CCC2CC2)n1C
InChIInChI=1S/C17H27N3/c1-6-7-13(2)17-15(12-19(3)4)18-16(20(17)5)11-10-14-8-9-14/h6-7,12,14H,8-11H2,1-5H3/b7-6-,15-12+,17-13-
InChIKeyNCQPKLDOIFCTFL-JEDOTZASSA-N
MW273.42 g/mol
LogP1.81
Rot. Bonds5

About (1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine

(1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine (PubChem CID 135142657) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is (1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name(1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine
PubChem CID135142657
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name(1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine
SMILESC/C=C\C(C)=c1\c(=C/N(C)C)nc(CCC2CC2)n1C
InChIInChI=1S/C17H27N3/c1-6-7-13(2)17-15(12-19(3)4)18-16(20(17)5)11-10-14-8-9-14/h6-7,12,14H,8-11H2,1-5H3/b7-6-,15-12+,17-13-
InChIKeyNCQPKLDOIFCTFL-JEDOTZASSA-N
XLogP1.81
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine?
The IUPAC name of (1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine (CID 135142657) is (1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine.
What is the SMILES notation for (1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine?
The canonical SMILES for (1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine is C/C=C\C(C)=c1\c(=C/N(C)C)nc(CCC2CC2)n1C.
What is the InChIKey of (1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine?
The InChIKey is NCQPKLDOIFCTFL-JEDOTZASSA-N. The full InChI is InChI=1S/C17H27N3/c1-6-7-13(2)17-15(12-19(3)4)18-16(20(17)5)11-10-14-8-9-14/h6-7,12,14H,8-11H2,1-5H3/b7-6-,15-12+,17-13-.
What are the key properties of (1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine?
(1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine has a molecular weight of 273.42 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine is sourced from PubChem (CID 135142657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).