3-(2-methylpiperidin-1-yl)prop-1-en-2-amine

C9H18N2 — CID 166739950

IUPAC3-(2-methylpiperidin-1-yl)prop-1-en-2-amine
SMILESC=C(N)CN1CCCCC1C
InChIInChI=1S/C9H18N2/c1-8(10)7-11-6-4-3-5-9(11)2/h9H,1,3-7,10H2,2H3
InChIKeyLDZODJTVCMOIDF-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.33
Rot. Bonds2

About 3-(2-methylpiperidin-1-yl)prop-1-en-2-amine

3-(2-methylpiperidin-1-yl)prop-1-en-2-amine (PubChem CID 166739950) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)prop-1-en-2-amine.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)prop-1-en-2-amine
PubChem CID166739950
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-(2-methylpiperidin-1-yl)prop-1-en-2-amine
SMILESC=C(N)CN1CCCCC1C
InChIInChI=1S/C9H18N2/c1-8(10)7-11-6-4-3-5-9(11)2/h9H,1,3-7,10H2,2H3
InChIKeyLDZODJTVCMOIDF-UHFFFAOYSA-N
XLogP1.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)prop-1-en-2-amine?
The IUPAC name of 3-(2-methylpiperidin-1-yl)prop-1-en-2-amine (CID 166739950) is 3-(2-methylpiperidin-1-yl)prop-1-en-2-amine.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)prop-1-en-2-amine?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)prop-1-en-2-amine is C=C(N)CN1CCCCC1C.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)prop-1-en-2-amine?
The InChIKey is LDZODJTVCMOIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(10)7-11-6-4-3-5-9(11)2/h9H,1,3-7,10H2,2H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)prop-1-en-2-amine?
3-(2-methylpiperidin-1-yl)prop-1-en-2-amine has a molecular weight of 154.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)prop-1-en-2-amine is sourced from PubChem (CID 166739950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).