(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride

C8H14Cl2N2 — CID 122236499

IUPAC(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
SMILESCC[C@H](N)c1ccccn1.Cl.Cl
InChIInChI=1S/C8H12N2.2ClH/c1-2-7(9)8-5-3-4-6-10-8;;/h3-7H,2,9H2,1H3;2*1H/t7-;;/m0../s1
InChIKeyORURRAVEPLPSIJ-KLXURFKVSA-N
MW209.12 g/mol
LogP2.34
Rot. Bonds2

About (1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride

(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride (PubChem CID 122236499) has the molecular formula C8H14Cl2N2 and a molecular weight of 209.12 g/mol. Its IUPAC name is (1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
PubChem CID122236499
Molecular FormulaC8H14Cl2N2
Molecular Weight209.12 g/mol
Exact Mass208.05
IUPAC Name(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
SMILESCC[C@H](N)c1ccccn1.Cl.Cl
InChIInChI=1S/C8H12N2.2ClH/c1-2-7(9)8-5-3-4-6-10-8;;/h3-7H,2,9H2,1H3;2*1H/t7-;;/m0../s1
InChIKeyORURRAVEPLPSIJ-KLXURFKVSA-N
XLogP2.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-pyridin-2-ylethanol;hydrochloride
CID 86306039
2-methoxy-1-pyridin-2-ylethanamine;hydrochloride
CID 53398961
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064
(1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine
CID 99737676
ethane;2-pentan-3-ylpyridine
CID 142883968
(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 86767543
(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethanamine
CID 93312466
(1R)-1-(1,5-naphthyridin-2-yl)propan-1-amine
CID 130615204
2-pyridin-2-ylbutanethioamide;hydrochloride
CID 90471490
1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61323577
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947

Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride?
The IUPAC name of (1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride (CID 122236499) is (1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride.
What is the SMILES notation for (1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride?
The canonical SMILES for (1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride is CC[C@H](N)c1ccccn1.Cl.Cl.
What is the InChIKey of (1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride?
The InChIKey is ORURRAVEPLPSIJ-KLXURFKVSA-N. The full InChI is InChI=1S/C8H12N2.2ClH/c1-2-7(9)8-5-3-4-6-10-8;;/h3-7H,2,9H2,1H3;2*1H/t7-;;/m0../s1.
What are the key properties of (1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride?
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride has a molecular weight of 209.12 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 122236499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).