ethane;N-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine

C13H27N3 — CID 167502126

IUPACethane;N-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCC.CN1CCC(NC2C3CNCC32)CC1
InChIInChI=1S/C11H21N3.C2H6/c1-14-4-2-8(3-5-14)13-11-9-6-12-7-10(9)11;1-2/h8-13H,2-7H2,1H3;1-2H3
InChIKeyFPPRFXCQLPXFCW-UHFFFAOYSA-N
MW225.38 g/mol
LogP0.91
Rot. Bonds2

About ethane;N-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine

ethane;N-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 167502126) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is ethane;N-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Nameethane;N-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID167502126
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Nameethane;N-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCC.CN1CCC(NC2C3CNCC32)CC1
InChIInChI=1S/C11H21N3.C2H6/c1-14-4-2-8(3-5-14)13-11-9-6-12-7-10(9)11;1-2/h8-13H,2-7H2,1H3;1-2H3
InChIKeyFPPRFXCQLPXFCW-UHFFFAOYSA-N
XLogP0.91
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of ethane;N-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 167502126) is ethane;N-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for ethane;N-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for ethane;N-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine is CC.CN1CCC(NC2C3CNCC32)CC1.
What is the InChIKey of ethane;N-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is FPPRFXCQLPXFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3.C2H6/c1-14-4-2-8(3-5-14)13-11-9-6-12-7-10(9)11;1-2/h8-13H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;N-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
ethane;N-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 225.38 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 167502126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).