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

C19H31N3 — CID 135143108

IUPAC(1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine
SMILESC/C=C\C(=c1\c(=C/N(C)C)nc(CCC2CC2)n1C)C(C)C
InChIInChI=1S/C19H31N3/c1-7-8-16(14(2)3)19-17(13-21(4)5)20-18(22(19)6)12-11-15-9-10-15/h7-8,13-15H,9-12H2,1-6H3/b8-7-,17-13+,19-16+
InChIKeyDAYCGGOEKJUNFT-QWDTWZMTSA-N
MW301.48 g/mol
LogP2.45
Rot. Bonds6

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

(1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine (PubChem CID 135143108) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is (1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name(1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine
PubChem CID135143108
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name(1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine
SMILESC/C=C\C(=c1\c(=C/N(C)C)nc(CCC2CC2)n1C)C(C)C
InChIInChI=1S/C19H31N3/c1-7-8-16(14(2)3)19-17(13-21(4)5)20-18(22(19)6)12-11-15-9-10-15/h7-8,13-15H,9-12H2,1-6H3/b8-7-,17-13+,19-16+
InChIKeyDAYCGGOEKJUNFT-QWDTWZMTSA-N
XLogP2.45
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine?
The IUPAC name of (1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine (CID 135143108) is (1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine.
What is the SMILES notation for (1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine?
The canonical SMILES for (1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine is C/C=C\C(=c1\c(=C/N(C)C)nc(CCC2CC2)n1C)C(C)C.
What is the InChIKey of (1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine?
The InChIKey is DAYCGGOEKJUNFT-QWDTWZMTSA-N. The full InChI is InChI=1S/C19H31N3/c1-7-8-16(14(2)3)19-17(13-21(4)5)20-18(22(19)6)12-11-15-9-10-15/h7-8,13-15H,9-12H2,1-6H3/b8-7-,17-13+,19-16+.
What are the key properties of (1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine?
(1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine has a molecular weight of 301.48 g/mol, XLogP of 2.45, 6 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)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine is sourced from PubChem (CID 135143108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).