ethane;1-methylazepane;1-methylpiperidine

C17H40N2 — CID 142483424

IUPACethane;1-methylazepane;1-methylpiperidine
SMILESCC.CC.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.C6H13N.2C2H6/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
InChIKeyNNWFCSCJAKOGRW-UHFFFAOYSA-N
MW272.52 g/mol
LogP4.65
Rot. Bonds

About ethane;1-methylazepane;1-methylpiperidine

ethane;1-methylazepane;1-methylpiperidine (PubChem CID 142483424) has the molecular formula C17H40N2 and a molecular weight of 272.52 g/mol. Its IUPAC name is ethane;1-methylazepane;1-methylpiperidine.

Molecular Properties

Compound Nameethane;1-methylazepane;1-methylpiperidine
PubChem CID142483424
Molecular FormulaC17H40N2
Molecular Weight272.52 g/mol
Exact Mass272.32
IUPAC Nameethane;1-methylazepane;1-methylpiperidine
SMILESCC.CC.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C7H15N.C6H13N.2C2H6/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
InChIKeyNNWFCSCJAKOGRW-UHFFFAOYSA-N
XLogP4.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.52
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methylazepane;1-methylpiperidine?
The IUPAC name of ethane;1-methylazepane;1-methylpiperidine (CID 142483424) is ethane;1-methylazepane;1-methylpiperidine.
What is the SMILES notation for ethane;1-methylazepane;1-methylpiperidine?
The canonical SMILES for ethane;1-methylazepane;1-methylpiperidine is CC.CC.CN1CCCCC1.CN1CCCCCC1.
What is the InChIKey of ethane;1-methylazepane;1-methylpiperidine?
The InChIKey is NNWFCSCJAKOGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C6H13N.2C2H6/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.
What are the key properties of ethane;1-methylazepane;1-methylpiperidine?
ethane;1-methylazepane;1-methylpiperidine has a molecular weight of 272.52 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylazepane;1-methylpiperidine is sourced from PubChem (CID 142483424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).