(1Z)-N-methyl-1-[(5E)-2-methyl-5-prop-2-enylidene-1-propylimidazol-4-ylidene]ethanamine

C13H21N3 — CID 145479940

IUPAC(1Z)-N-methyl-1-[(5E)-2-methyl-5-prop-2-enylidene-1-propylimidazol-4-ylidene]ethanamine
SMILESC=C/C=c1\c(=C(/C)NC)nc(C)n1CCC
InChIInChI=1S/C13H21N3/c1-6-8-12-13(10(3)14-5)15-11(4)16(12)9-7-2/h6,8,14H,1,7,9H2,2-5H3/b12-8+,13-10-
InChIKeyANVSJEQPVQCWAE-LSCZQMSZSA-N
MW219.33 g/mol
LogP0.92
Rot. Bonds4

About (1Z)-N-methyl-1-[(5E)-2-methyl-5-prop-2-enylidene-1-propylimidazol-4-ylidene]ethanamine

(1Z)-N-methyl-1-[(5E)-2-methyl-5-prop-2-enylidene-1-propylimidazol-4-ylidene]ethanamine (PubChem CID 145479940) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (1Z)-N-methyl-1-[(5E)-2-methyl-5-prop-2-enylidene-1-propylimidazol-4-ylidene]ethanamine.

Molecular Properties

Compound Name(1Z)-N-methyl-1-[(5E)-2-methyl-5-prop-2-enylidene-1-propylimidazol-4-ylidene]ethanamine
PubChem CID145479940
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(1Z)-N-methyl-1-[(5E)-2-methyl-5-prop-2-enylidene-1-propylimidazol-4-ylidene]ethanamine
SMILESC=C/C=c1\c(=C(/C)NC)nc(C)n1CCC
InChIInChI=1S/C13H21N3/c1-6-8-12-13(10(3)14-5)15-11(4)16(12)9-7-2/h6,8,14H,1,7,9H2,2-5H3/b12-8+,13-10-
InChIKeyANVSJEQPVQCWAE-LSCZQMSZSA-N
XLogP0.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-[(Z)-[(5E)-5-ethylidene-2-methyl-1-propan-2-ylimidazol-4-ylidene]-fluoromethyl]-2-fluoroprop-1-en-1-amine
CID 135162563
2-[(1E,3E)-penta-1,3-dienyl]-4,5-dihydro-1H-imidazole
CID 21608210
2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium
CID 57177363
N-[2-(2-methyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]prop-2-en-1-amine
CID 67176356
N-[1-(1-methyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]prop-2-en-1-amine
CID 68425661
1-(2,3-dihydroimidazo[1,2-a]pyridin-2-yl)-N-methylmethanamine
CID 70331238
N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine
CID 70599548
(E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
CID 88586966
[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine
CID 88939569
(4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole
CID 91464077
N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide
CID 121279957
(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1H-imidazole
CID 123195019

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-methyl-1-[(5E)-2-methyl-5-prop-2-enylidene-1-propylimidazol-4-ylidene]ethanamine?
The IUPAC name of (1Z)-N-methyl-1-[(5E)-2-methyl-5-prop-2-enylidene-1-propylimidazol-4-ylidene]ethanamine (CID 145479940) is (1Z)-N-methyl-1-[(5E)-2-methyl-5-prop-2-enylidene-1-propylimidazol-4-ylidene]ethanamine.
What is the SMILES notation for (1Z)-N-methyl-1-[(5E)-2-methyl-5-prop-2-enylidene-1-propylimidazol-4-ylidene]ethanamine?
The canonical SMILES for (1Z)-N-methyl-1-[(5E)-2-methyl-5-prop-2-enylidene-1-propylimidazol-4-ylidene]ethanamine is C=C/C=c1\c(=C(/C)NC)nc(C)n1CCC.
What is the InChIKey of (1Z)-N-methyl-1-[(5E)-2-methyl-5-prop-2-enylidene-1-propylimidazol-4-ylidene]ethanamine?
The InChIKey is ANVSJEQPVQCWAE-LSCZQMSZSA-N. The full InChI is InChI=1S/C13H21N3/c1-6-8-12-13(10(3)14-5)15-11(4)16(12)9-7-2/h6,8,14H,1,7,9H2,2-5H3/b12-8+,13-10-.
What are the key properties of (1Z)-N-methyl-1-[(5E)-2-methyl-5-prop-2-enylidene-1-propylimidazol-4-ylidene]ethanamine?
(1Z)-N-methyl-1-[(5E)-2-methyl-5-prop-2-enylidene-1-propylimidazol-4-ylidene]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-methyl-1-[(5E)-2-methyl-5-prop-2-enylidene-1-propylimidazol-4-ylidene]ethanamine is sourced from PubChem (CID 145479940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).