1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane

C15H21N3 — CID 143987286

IUPAC1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane
SMILESC=C/C=c1/cccn/c1=C(/C)N1CCCNCC1
InChIInChI=1S/C15H21N3/c1-3-6-14-7-4-9-17-15(14)13(2)18-11-5-8-16-10-12-18/h3-4,6-7,9,16H,1,5,8,10-12H2,2H3/b14-6-,15-13-
InChIKeyVBVCTBRBTDDDFX-HHBZNHQJSA-N
MW243.35 g/mol
LogP0.47
Rot. Bonds2

About 1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane

1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane (PubChem CID 143987286) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane
PubChem CID143987286
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane
SMILESC=C/C=c1/cccn/c1=C(/C)N1CCCNCC1
InChIInChI=1S/C15H21N3/c1-3-6-14-7-4-9-17-15(14)13(2)18-11-5-8-16-10-12-18/h3-4,6-7,9,16H,1,5,8,10-12H2,2H3/b14-6-,15-13-
InChIKeyVBVCTBRBTDDDFX-HHBZNHQJSA-N
XLogP0.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine
CID 118124176
Trimethyl-[2-[(3-methyl-5-methyliminopenta-1,3-dien-2-yl)amino]ethyl]azanium
CID 123243465
Dimethyl-[5-methyl-4-(methylamino)hepta-2,4-dienylidene]azanium
CID 123297385
3-methyl-6,7,8,9-tetrahydro-3H-pyrido[4,3-b]azepine
CID 123521363
(3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine
CID 138601574
1-(2,3-Dihydropyridin-5-yl)-1,4-diazepane
CID 139935688
ethane;(2E,3Z)-3-ethylidene-N-methyl-2-prop-2-enylidenepyridin-4-amine
CID 143278267
(1Z)-N-ethyl-1-[(2E)-2-ethylidene-3-pyridinylidene]ethanamine
CID 143707398
ethane;1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane
CID 143987285
N,1-dimethyl-5-(prop-2-enylideneamino)-3,6-dihydro-2H-pyridin-4-amine
CID 144594832
(2E,3Z)-N-propan-2-yl-2,3-bis(prop-2-enylidene)pyridin-4-amine
CID 155109542
N'-[(2E,4Z)-6-imino-3-methylhexa-2,4-dienyl]-N-methyl-N'-propylethane-1,2-diamine
CID 156421026

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane?
The IUPAC name of 1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane (CID 143987286) is 1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane.
What is the SMILES notation for 1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane?
The canonical SMILES for 1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane is C=C/C=c1/cccn/c1=C(/C)N1CCCNCC1.
What is the InChIKey of 1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane?
The InChIKey is VBVCTBRBTDDDFX-HHBZNHQJSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-6-14-7-4-9-17-15(14)13(2)18-11-5-8-16-10-12-18/h3-4,6-7,9,16H,1,5,8,10-12H2,2H3/b14-6-,15-13-.
What are the key properties of 1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane?
1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane has a molecular weight of 243.35 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane is sourced from PubChem (CID 143987286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).