N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2,3,4,5-tetrahydropyridin-6-amine

C11H20N2 — CID 130847853

IUPACN-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC[C@@H]1C[C@H]1CNC1=NCCCC1
InChIInChI=1S/C11H20N2/c1-2-9-7-10(9)8-13-11-5-3-4-6-12-11/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10+/m1/s1
InChIKeySGQJYDBMLGWPDX-ZJUUUORDSA-N
MW180.29 g/mol
LogP2.20
Rot. Bonds3

About N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2,3,4,5-tetrahydropyridin-6-amine

N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 130847853) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID130847853
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC[C@@H]1C[C@H]1CNC1=NCCCC1
InChIInChI=1S/C11H20N2/c1-2-9-7-10(9)8-13-11-5-3-4-6-12-11/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10+/m1/s1
InChIKeySGQJYDBMLGWPDX-ZJUUUORDSA-N
XLogP2.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2,3,4,5-tetrahydropyridin-6-amine (CID 130847853) is N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2,3,4,5-tetrahydropyridin-6-amine is CC[C@@H]1C[C@H]1CNC1=NCCCC1.
What is the InChIKey of N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is SGQJYDBMLGWPDX-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-9-7-10(9)8-13-11-5-3-4-6-12-11/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10+/m1/s1.
What are the key properties of N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 180.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 130847853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).