ethane;methane;1-methylazepane;1-methylpiperidine

C19H48N2 — CID 159307214

IUPACethane;methane;1-methylazepane;1-methylpiperidine
SMILESC.C.CC.CC.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.C6H13N.2C2H6.2CH4/c1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7;2*1-2;;/h2-7H2,1H3;2-6H2,1H3;2*1-2H3;2*1H4
InChIKeyLCBLBDFQHKZKQY-UHFFFAOYSA-N
MW304.61 g/mol
LogP5.92
Rot. Bonds

About ethane;methane;1-methylazepane;1-methylpiperidine

ethane;methane;1-methylazepane;1-methylpiperidine (PubChem CID 159307214) has the molecular formula C19H48N2 and a molecular weight of 304.61 g/mol. Its IUPAC name is ethane;methane;1-methylazepane;1-methylpiperidine.

Molecular Properties

Compound Nameethane;methane;1-methylazepane;1-methylpiperidine
PubChem CID159307214
Molecular FormulaC19H48N2
Molecular Weight304.61 g/mol
Exact Mass304.38
IUPAC Nameethane;methane;1-methylazepane;1-methylpiperidine
SMILESC.C.CC.CC.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.C6H13N.2C2H6.2CH4/c1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7;2*1-2;;/h2-7H2,1H3;2-6H2,1H3;2*1-2H3;2*1H4
InChIKeyLCBLBDFQHKZKQY-UHFFFAOYSA-N
XLogP5.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.61
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-methylazepane;1-methylpiperidine?
The IUPAC name of ethane;methane;1-methylazepane;1-methylpiperidine (CID 159307214) is ethane;methane;1-methylazepane;1-methylpiperidine.
What is the SMILES notation for ethane;methane;1-methylazepane;1-methylpiperidine?
The canonical SMILES for ethane;methane;1-methylazepane;1-methylpiperidine is C.C.CC.CC.CN1CCCCC1.CN1CCCCCC1.
What is the InChIKey of ethane;methane;1-methylazepane;1-methylpiperidine?
The InChIKey is LCBLBDFQHKZKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C6H13N.2C2H6.2CH4/c1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7;2*1-2;;/h2-7H2,1H3;2-6H2,1H3;2*1-2H3;2*1H4.
What are the key properties of ethane;methane;1-methylazepane;1-methylpiperidine?
ethane;methane;1-methylazepane;1-methylpiperidine has a molecular weight of 304.61 g/mol, XLogP of 5.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-methylazepane;1-methylpiperidine is sourced from PubChem (CID 159307214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).