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

C17H27N3 — CID 143987285

IUPACethane;1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane
SMILESC=C/C=c1/cccn/c1=C(/C)N1CCCNCC1.CC
InChIInChI=1S/C15H21N3.C2H6/c1-3-6-14-7-4-9-17-15(14)13(2)18-11-5-8-16-10-12-18;1-2/h3-4,6-7,9,16H,1,5,8,10-12H2,2H3;1-2H3/b14-6-,15-13-;
InChIKeyQULFCKVJPXQKHC-VEVLHZPYSA-N
MW273.42 g/mol
LogP1.50
Rot. Bonds2

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

ethane;1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane (PubChem CID 143987285) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is ethane;1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane.

Molecular Properties

Compound Nameethane;1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane
PubChem CID143987285
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Nameethane;1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane
SMILESC=C/C=c1/cccn/c1=C(/C)N1CCCNCC1.CC
InChIInChI=1S/C15H21N3.C2H6/c1-3-6-14-7-4-9-17-15(14)13(2)18-11-5-8-16-10-12-18;1-2/h3-4,6-7,9,16H,1,5,8,10-12H2,2H3;1-2H3/b14-6-,15-13-;
InChIKeyQULFCKVJPXQKHC-VEVLHZPYSA-N
XLogP1.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane with MolForge

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Related Compounds

(3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine
CID 138601574
ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentylazanide;rubidium(1+)
CID 143987289
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
(2E,4E,6E)-4-(1,4-diazepan-1-yl)-7-methyl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]nona-2,4,6-trien-3-amine
CID 168936891
(2E,4E)-4-(1,4-diazepan-1-yl)-7-methyl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]octa-2,4,6-trien-3-amine
CID 168937042
4-(1,4-diazepan-1-yl)-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine
CID 168937239
4-(1,4-diazepan-1-yl)-3-methyl-N-[[(4E)-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine
CID 168937378
N-[[(4E)-4-butylidene-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-(1,4-diazepan-1-yl)-1,2-dihydropyridin-5-amine
CID 169977845
1-(2,3-Dihydropyridin-3-yl)-1,4-diazepane
CID 173170382
7-ethenylimino-N-methyl-4-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]hepta-1,3,5-trien-3-amine
CID 173739228
(Z)-N-[(Z)-but-2-en-2-yl]-2-(1,4-diazepan-1-ylmethyl)pent-2-en-1-imine
CID 173752471

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane?
The IUPAC name of ethane;1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane (CID 143987285) is ethane;1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane.
What is the SMILES notation for ethane;1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane?
The canonical SMILES for ethane;1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane is C=C/C=c1/cccn/c1=C(/C)N1CCCNCC1.CC.
What is the InChIKey of ethane;1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane?
The InChIKey is QULFCKVJPXQKHC-VEVLHZPYSA-N. The full InChI is InChI=1S/C15H21N3.C2H6/c1-3-6-14-7-4-9-17-15(14)13(2)18-11-5-8-16-10-12-18;1-2/h3-4,6-7,9,16H,1,5,8,10-12H2,2H3;1-2H3/b14-6-,15-13-;.
What are the key properties of ethane;1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane?
ethane;1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane has a molecular weight of 273.42 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(1Z)-1-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]ethyl]-1,4-diazepane is sourced from PubChem (CID 143987285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).