ethane;methane;5-piperidin-1-yl-3H-azepine

C14H26N2 — CID 143115625

IUPACethane;methane;5-piperidin-1-yl-3H-azepine
SMILESC.C1=CC(N2CCCCC2)=CCC=N1.CC
InChIInChI=1S/C11H16N2.C2H6.CH4/c1-2-9-13(10-3-1)11-5-4-7-12-8-6-11;1-2;/h5-8H,1-4,9-10H2;1-2H3;1H4
InChIKeyVMQXIOHDLQDCRU-UHFFFAOYSA-N
MW222.38 g/mol
LogP4.01
Rot. Bonds1

About ethane;methane;5-piperidin-1-yl-3H-azepine

ethane;methane;5-piperidin-1-yl-3H-azepine (PubChem CID 143115625) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is ethane;methane;5-piperidin-1-yl-3H-azepine.

Molecular Properties

Compound Nameethane;methane;5-piperidin-1-yl-3H-azepine
PubChem CID143115625
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Nameethane;methane;5-piperidin-1-yl-3H-azepine
SMILESC.C1=CC(N2CCCCC2)=CCC=N1.CC
InChIInChI=1S/C11H16N2.C2H6.CH4/c1-2-9-13(10-3-1)11-5-4-7-12-8-6-11;1-2;/h5-8H,1-4,9-10H2;1-2H3;1H4
InChIKeyVMQXIOHDLQDCRU-UHFFFAOYSA-N
XLogP4.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1Z)-buta-1,3-dienyl]-2-methyl-3-(1-methylpiperidin-4-ylidene)propan-1-imine
CID 89366339
5-(4-ethylpiperidin-1-yl)-3H-azepine
CID 123269294
N-butyl-N,6,6-trimethylazepin-4-amine
CID 123334554
4-Piperidin-1-yl-2,5-dihydropyridine
CID 129208888
(6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine
CID 139420142
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
(2E)-3-(4-ethenylidenepiperidin-1-yl)-N-methylpenta-2,4-dien-1-imine
CID 142084236
N-[(3Z)-4-(ethylideneamino)buta-1,3-dien-2-yl]-N,6-dimethyl-3H-azepin-5-amine
CID 143271836
ethane;(2E)-N-methyl-2-(1-methyl-3-methylidenepiperidin-2-ylidene)ethanimine
CID 143610086
N-[5-ethenyl-2-methyl-7-(1-methylpiperidin-4-ylidene)-6-[(Z)-prop-1-enyl]cyclohepta-1,5-dien-1-yl]prop-2-en-1-imine
CID 142087462
5-piperidin-1-yl-3H-azepine
CID 143115626
N-methyl-N-(3-methylpentyl)-3H-azepin-5-amine
CID 143115633

Frequently Asked Questions

What is the IUPAC name of ethane;methane;5-piperidin-1-yl-3H-azepine?
The IUPAC name of ethane;methane;5-piperidin-1-yl-3H-azepine (CID 143115625) is ethane;methane;5-piperidin-1-yl-3H-azepine.
What is the SMILES notation for ethane;methane;5-piperidin-1-yl-3H-azepine?
The canonical SMILES for ethane;methane;5-piperidin-1-yl-3H-azepine is C.C1=CC(N2CCCCC2)=CCC=N1.CC.
What is the InChIKey of ethane;methane;5-piperidin-1-yl-3H-azepine?
The InChIKey is VMQXIOHDLQDCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C2H6.CH4/c1-2-9-13(10-3-1)11-5-4-7-12-8-6-11;1-2;/h5-8H,1-4,9-10H2;1-2H3;1H4.
What are the key properties of ethane;methane;5-piperidin-1-yl-3H-azepine?
ethane;methane;5-piperidin-1-yl-3H-azepine has a molecular weight of 222.38 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;5-piperidin-1-yl-3H-azepine is sourced from PubChem (CID 143115625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).