ethane;3-ethenyl-7-methyl-2-(4-methylpiperazin-1-yl)-6H-cyclohepta[b]pyridine

C20H29N3 — CID 143957809

IUPACethane;3-ethenyl-7-methyl-2-(4-methylpiperazin-1-yl)-6H-cyclohepta[b]pyridine
SMILESC=Cc1cc2c(nc1N1CCN(C)CC1)=CC=C(C)CC=2.CC
InChIInChI=1S/C18H23N3.C2H6/c1-4-15-13-16-7-5-14(2)6-8-17(16)19-18(15)21-11-9-20(3)10-12-21;1-2/h4,6-8,13H,1,5,9-12H2,2-3H3;1-2H3
InChIKeyCSWBHDGJDZZHDG-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.41
Rot. Bonds2

About ethane;3-ethenyl-7-methyl-2-(4-methylpiperazin-1-yl)-6H-cyclohepta[b]pyridine

ethane;3-ethenyl-7-methyl-2-(4-methylpiperazin-1-yl)-6H-cyclohepta[b]pyridine (PubChem CID 143957809) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is ethane;3-ethenyl-7-methyl-2-(4-methylpiperazin-1-yl)-6H-cyclohepta[b]pyridine.

Molecular Properties

Compound Nameethane;3-ethenyl-7-methyl-2-(4-methylpiperazin-1-yl)-6H-cyclohepta[b]pyridine
PubChem CID143957809
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Nameethane;3-ethenyl-7-methyl-2-(4-methylpiperazin-1-yl)-6H-cyclohepta[b]pyridine
SMILESC=Cc1cc2c(nc1N1CCN(C)CC1)=CC=C(C)CC=2.CC
InChIInChI=1S/C18H23N3.C2H6/c1-4-15-13-16-7-5-14(2)6-8-17(16)19-18(15)21-11-9-20(3)10-12-21;1-2/h4,6-8,13H,1,5,9-12H2,2-3H3;1-2H3
InChIKeyCSWBHDGJDZZHDG-UHFFFAOYSA-N
XLogP2.41
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylbenzene-6-id-1-yl)-1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium
CID 58613249
(Z)-1-[4-[(2E,4E,6E)-2,6-bis(ethenyl)-5-methylocta-2,4,6-trienyl]piperazin-1-yl]-N-ethenylbut-2-en-1-imine
CID 126495587
(Z)-N-ethenyl-1-[4-[(2E,4E,6E,8Z)-2-ethenyl-5,6-dimethylundeca-2,4,6,8,10-pentaenyl]piperazin-1-yl]but-2-en-1-imine
CID 126495651
1-[3,4-Dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine
CID 126720096
2-Cyclohexa-1,5-dien-1-yl-1,5-dimethyl-5,6-dihydrobenzimidazole
CID 130242137
3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine
CID 134387420
3,6-bis[(1Z)-buta-1,3-dienyl]-N,1,4,5-tetrakis(ethenyl)pyridin-2-imine
CID 134420160
3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine
CID 134557797
(3E)-5-[4-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-5-methyliminopenta-1,3-dien-3-amine
CID 142085184
N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine
CID 142229587
(6E)-2-methyl-5,7-bis(4-methylpiperazin-1-yl)-3-[(Z)-prop-1-enyl]-6-propylidene-1,4-diazepine
CID 142924861
N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine
CID 143096898

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-7-methyl-2-(4-methylpiperazin-1-yl)-6H-cyclohepta[b]pyridine?
The IUPAC name of ethane;3-ethenyl-7-methyl-2-(4-methylpiperazin-1-yl)-6H-cyclohepta[b]pyridine (CID 143957809) is ethane;3-ethenyl-7-methyl-2-(4-methylpiperazin-1-yl)-6H-cyclohepta[b]pyridine.
What is the SMILES notation for ethane;3-ethenyl-7-methyl-2-(4-methylpiperazin-1-yl)-6H-cyclohepta[b]pyridine?
The canonical SMILES for ethane;3-ethenyl-7-methyl-2-(4-methylpiperazin-1-yl)-6H-cyclohepta[b]pyridine is C=Cc1cc2c(nc1N1CCN(C)CC1)=CC=C(C)CC=2.CC.
What is the InChIKey of ethane;3-ethenyl-7-methyl-2-(4-methylpiperazin-1-yl)-6H-cyclohepta[b]pyridine?
The InChIKey is CSWBHDGJDZZHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3.C2H6/c1-4-15-13-16-7-5-14(2)6-8-17(16)19-18(15)21-11-9-20(3)10-12-21;1-2/h4,6-8,13H,1,5,9-12H2,2-3H3;1-2H3.
What are the key properties of ethane;3-ethenyl-7-methyl-2-(4-methylpiperazin-1-yl)-6H-cyclohepta[b]pyridine?
ethane;3-ethenyl-7-methyl-2-(4-methylpiperazin-1-yl)-6H-cyclohepta[b]pyridine has a molecular weight of 311.47 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-7-methyl-2-(4-methylpiperazin-1-yl)-6H-cyclohepta[b]pyridine is sourced from PubChem (CID 143957809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).