2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine

C11H22N2 — CID 83846817

IUPAC2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine
SMILESCC1C(CCN)CCCN1C1CC1
InChIInChI=1S/C11H22N2/c1-9-10(6-7-12)3-2-8-13(9)11-4-5-11/h9-11H,2-8,12H2,1H3
InChIKeyNKCWHDIGEIGPBP-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.60
Rot. Bonds3

About 2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine

2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine (PubChem CID 83846817) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine
PubChem CID83846817
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine
SMILESCC1C(CCN)CCCN1C1CC1
InChIInChI=1S/C11H22N2/c1-9-10(6-7-12)3-2-8-13(9)11-4-5-11/h9-11H,2-8,12H2,1H3
InChIKeyNKCWHDIGEIGPBP-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine?
The IUPAC name of 2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine (CID 83846817) is 2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine?
The canonical SMILES for 2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine is CC1C(CCN)CCCN1C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine?
The InChIKey is NKCWHDIGEIGPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9-10(6-7-12)3-2-8-13(9)11-4-5-11/h9-11H,2-8,12H2,1H3.
What are the key properties of 2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine?
2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine has a molecular weight of 182.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 83846817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).