ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane

C15H32N2 — CID 143899908

IUPACethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane
SMILESCC.CN1CCCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N2.C2H6/c1-14-8-3-4-12(5-9-14)13-6-10-15(2)11-7-13;1-2/h12-13H,3-11H2,1-2H3;1-2H3
InChIKeyATQUTRDTEDHTFP-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.09
Rot. Bonds1

About ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane

ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane (PubChem CID 143899908) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane.

Molecular Properties

Compound Nameethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane
PubChem CID143899908
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Nameethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane
SMILESCC.CN1CCCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N2.C2H6/c1-14-8-3-4-12(5-9-14)13-6-10-15(2)11-7-13;1-2/h12-13H,3-11H2,1-2H3;1-2H3
InChIKeyATQUTRDTEDHTFP-UHFFFAOYSA-N
XLogP3.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methane;1-methyl-4-(1-methylpiperidin-4-yl)piperidine
CID 158947160
(1S)-3-methyl-3-azabicyclo[5.5.0]dodecane
CID 118321451
2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
CID 130417829
ethane;bis(1-methylpyrrolidine)
CID 153385238
ethane;1-methyl-4-(1-propylpiperidin-4-yl)piperidine
CID 156885500
4-(1-methylpiperidin-4-yl)cyclohexan-1-ol
CID 58103882
(4S)-1-methylazepan-4-ol
CID 29414429
2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 58136033
ethane;10-methyl-10-azatricyclo[6.4.1.04,13]tridecane
CID 145098920
1-ethyl-4-(1-methylpiperidin-4-yl)piperidine
CID 70910959
(4S)-1-methylazepan-4-ol;hydrochloride
CID 175654046
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane?
The IUPAC name of ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane (CID 143899908) is ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane.
What is the SMILES notation for ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane?
The canonical SMILES for ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane is CC.CN1CCCC(C2CCN(C)CC2)CC1.
What is the InChIKey of ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane?
The InChIKey is ATQUTRDTEDHTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C2H6/c1-14-8-3-4-12(5-9-14)13-6-10-15(2)11-7-13;1-2/h12-13H,3-11H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane?
ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane has a molecular weight of 240.43 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane is sourced from PubChem (CID 143899908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).