3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride

C8H14ClN3 — CID 171230912

IUPAC3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
SMILESCC[C@H](N)c1cccnc1N.Cl
InChIInChI=1S/C8H13N3.ClH/c1-2-7(9)6-4-3-5-11-8(6)10;/h3-5,7H,2,9H2,1H3,(H2,10,11);1H/t7-;/m0./s1
InChIKeyZVSURBYTHGXSMF-FJXQXJEOSA-N
MW187.67 g/mol
LogP1.50
Rot. Bonds2

About 3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride

3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride (PubChem CID 171230912) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is 3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
PubChem CID171230912
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
SMILESCC[C@H](N)c1cccnc1N.Cl
InChIInChI=1S/C8H13N3.ClH/c1-2-7(9)6-4-3-5-11-8(6)10;/h3-5,7H,2,9H2,1H3,(H2,10,11);1H/t7-;/m0./s1
InChIKeyZVSURBYTHGXSMF-FJXQXJEOSA-N
XLogP1.50
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-1-amino-4-methylpentyl]pyridin-2-amine
CID 171211340
(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride
CID 171211346
1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 79093187
3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride
CID 171211338
(1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol
CID 130848050
1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine
CID 79086742
3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine
CID 176663633
3-(1-amino-2-methoxybutyl)pyridin-2-amine
CID 116715178
methyl (3S)-3-amino-3-(2-amino-3-pyridinyl)propanoate;hydrochloride
CID 171243481
(4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol
CID 171230946
(1S)-1-(2-ethenyl-3-pyridinyl)propan-1-amine
CID 74788873
3-(1-amino-2-ethoxybutyl)pyridin-2-amine
CID 116716352

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride?
The IUPAC name of 3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride (CID 171230912) is 3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride.
What is the SMILES notation for 3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride?
The canonical SMILES for 3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride is CC[C@H](N)c1cccnc1N.Cl.
What is the InChIKey of 3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride?
The InChIKey is ZVSURBYTHGXSMF-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H13N3.ClH/c1-2-7(9)6-4-3-5-11-8(6)10;/h3-5,7H,2,9H2,1H3,(H2,10,11);1H/t7-;/m0./s1.
What are the key properties of 3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride?
3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 171230912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).