2-[1-(2-aminoethyl)-2-methylpiperidin-4-yl]ethanamine

C10H23N3 — CID 68737456

IUPAC2-[1-(2-aminoethyl)-2-methylpiperidin-4-yl]ethanamine
SMILESCC1CC(CCN)CCN1CCN
InChIInChI=1S/C10H23N3/c1-9-8-10(2-4-11)3-6-13(9)7-5-12/h9-10H,2-8,11-12H2,1H3
InChIKeyKAOMWXHVNIOEKU-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.39
Rot. Bonds4

About 2-[1-(2-aminoethyl)-2-methylpiperidin-4-yl]ethanamine

2-[1-(2-aminoethyl)-2-methylpiperidin-4-yl]ethanamine (PubChem CID 68737456) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-[1-(2-aminoethyl)-2-methylpiperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-aminoethyl)-2-methylpiperidin-4-yl]ethanamine
PubChem CID68737456
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name2-[1-(2-aminoethyl)-2-methylpiperidin-4-yl]ethanamine
SMILESCC1CC(CCN)CCN1CCN
InChIInChI=1S/C10H23N3/c1-9-8-10(2-4-11)3-6-13(9)7-5-12/h9-10H,2-8,11-12H2,1H3
InChIKeyKAOMWXHVNIOEKU-UHFFFAOYSA-N
XLogP0.39
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethyl)-2-methylpiperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-(2-aminoethyl)-2-methylpiperidin-4-yl]ethanamine (CID 68737456) is 2-[1-(2-aminoethyl)-2-methylpiperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-aminoethyl)-2-methylpiperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(2-aminoethyl)-2-methylpiperidin-4-yl]ethanamine is CC1CC(CCN)CCN1CCN.
What is the InChIKey of 2-[1-(2-aminoethyl)-2-methylpiperidin-4-yl]ethanamine?
The InChIKey is KAOMWXHVNIOEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-9-8-10(2-4-11)3-6-13(9)7-5-12/h9-10H,2-8,11-12H2,1H3.
What are the key properties of 2-[1-(2-aminoethyl)-2-methylpiperidin-4-yl]ethanamine?
2-[1-(2-aminoethyl)-2-methylpiperidin-4-yl]ethanamine has a molecular weight of 185.31 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethyl)-2-methylpiperidin-4-yl]ethanamine is sourced from PubChem (CID 68737456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).