(1S)-1-(2-methyl-1,2,3,4-tetrahydropyridin-5-yl)ethanamine

C8H16N2 — CID 70253838

IUPAC(1S)-1-(2-methyl-1,2,3,4-tetrahydropyridin-5-yl)ethanamine
SMILESCC1CCC([C@H](C)N)=CN1
InChIInChI=1S/C8H16N2/c1-6-3-4-8(5-10-6)7(2)9/h5-7,10H,3-4,9H2,1-2H3/t6?,7-/m0/s1
InChIKeyRIISWIFHXWPPTR-MLWJPKLSSA-N
MW140.23 g/mol
LogP0.99
Rot. Bonds1

About (1S)-1-(2-methyl-1,2,3,4-tetrahydropyridin-5-yl)ethanamine

(1S)-1-(2-methyl-1,2,3,4-tetrahydropyridin-5-yl)ethanamine (PubChem CID 70253838) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (1S)-1-(2-methyl-1,2,3,4-tetrahydropyridin-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methyl-1,2,3,4-tetrahydropyridin-5-yl)ethanamine
PubChem CID70253838
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(1S)-1-(2-methyl-1,2,3,4-tetrahydropyridin-5-yl)ethanamine
SMILESCC1CCC([C@H](C)N)=CN1
InChIInChI=1S/C8H16N2/c1-6-3-4-8(5-10-6)7(2)9/h5-7,10H,3-4,9H2,1-2H3/t6?,7-/m0/s1
InChIKeyRIISWIFHXWPPTR-MLWJPKLSSA-N
XLogP0.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methyl-1,2,3,4-tetrahydropyridin-5-yl)ethanamine?
The IUPAC name of (1S)-1-(2-methyl-1,2,3,4-tetrahydropyridin-5-yl)ethanamine (CID 70253838) is (1S)-1-(2-methyl-1,2,3,4-tetrahydropyridin-5-yl)ethanamine.
What is the SMILES notation for (1S)-1-(2-methyl-1,2,3,4-tetrahydropyridin-5-yl)ethanamine?
The canonical SMILES for (1S)-1-(2-methyl-1,2,3,4-tetrahydropyridin-5-yl)ethanamine is CC1CCC([C@H](C)N)=CN1.
What is the InChIKey of (1S)-1-(2-methyl-1,2,3,4-tetrahydropyridin-5-yl)ethanamine?
The InChIKey is RIISWIFHXWPPTR-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-3-4-8(5-10-6)7(2)9/h5-7,10H,3-4,9H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of (1S)-1-(2-methyl-1,2,3,4-tetrahydropyridin-5-yl)ethanamine?
(1S)-1-(2-methyl-1,2,3,4-tetrahydropyridin-5-yl)ethanamine has a molecular weight of 140.23 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methyl-1,2,3,4-tetrahydropyridin-5-yl)ethanamine is sourced from PubChem (CID 70253838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).