ethane;1-methylazepane;1-propan-2-ylpiperidine

C17H38N2 — CID 170601993

IUPACethane;1-methylazepane;1-propan-2-ylpiperidine
SMILESCC.CC(C)N1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C8H17N.C7H15N.C2H6/c1-8(2)9-6-4-3-5-7-9;1-8-6-4-2-3-5-7-8;1-2/h8H,3-7H2,1-2H3;2-7H2,1H3;1-2H3
InChIKeyPUAWPPVSBJAFFC-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.40
Rot. Bonds1

About ethane;1-methylazepane;1-propan-2-ylpiperidine

ethane;1-methylazepane;1-propan-2-ylpiperidine (PubChem CID 170601993) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is ethane;1-methylazepane;1-propan-2-ylpiperidine.

Molecular Properties

Compound Nameethane;1-methylazepane;1-propan-2-ylpiperidine
PubChem CID170601993
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Nameethane;1-methylazepane;1-propan-2-ylpiperidine
SMILESCC.CC(C)N1CCCCC1.CN1CCCCCC1
InChIInChI=1S/C8H17N.C7H15N.C2H6/c1-8(2)9-6-4-3-5-7-9;1-8-6-4-2-3-5-7-8;1-2/h8H,3-7H2,1-2H3;2-7H2,1H3;1-2H3
InChIKeyPUAWPPVSBJAFFC-UHFFFAOYSA-N
XLogP4.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methylazepane;1-propan-2-ylpiperidine?
The IUPAC name of ethane;1-methylazepane;1-propan-2-ylpiperidine (CID 170601993) is ethane;1-methylazepane;1-propan-2-ylpiperidine.
What is the SMILES notation for ethane;1-methylazepane;1-propan-2-ylpiperidine?
The canonical SMILES for ethane;1-methylazepane;1-propan-2-ylpiperidine is CC.CC(C)N1CCCCC1.CN1CCCCCC1.
What is the InChIKey of ethane;1-methylazepane;1-propan-2-ylpiperidine?
The InChIKey is PUAWPPVSBJAFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H15N.C2H6/c1-8(2)9-6-4-3-5-7-9;1-8-6-4-2-3-5-7-8;1-2/h8H,3-7H2,1-2H3;2-7H2,1H3;1-2H3.
What are the key properties of ethane;1-methylazepane;1-propan-2-ylpiperidine?
ethane;1-methylazepane;1-propan-2-ylpiperidine has a molecular weight of 270.50 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylazepane;1-propan-2-ylpiperidine is sourced from PubChem (CID 170601993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).