(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride

C8H14ClN3O — CID 171211346

IUPAC(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride
SMILESCl.Nc1ncccc1[C@H](N)CCO
InChIInChI=1S/C8H13N3O.ClH/c9-7(3-5-12)6-2-1-4-11-8(6)10;/h1-2,4,7,12H,3,5,9H2,(H2,10,11);1H/t7-;/m1./s1
InChIKeyFJKKGKIUFJETIB-OGFXRTJISA-N
MW203.67 g/mol
LogP0.47
Rot. Bonds3

About (3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride

(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride (PubChem CID 171211346) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride
PubChem CID171211346
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride
SMILESCl.Nc1ncccc1[C@H](N)CCO
InChIInChI=1S/C8H13N3O.ClH/c9-7(3-5-12)6-2-1-4-11-8(6)10;/h1-2,4,7,12H,3,5,9H2,(H2,10,11);1H/t7-;/m1./s1
InChIKeyFJKKGKIUFJETIB-OGFXRTJISA-N
XLogP0.47
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol
CID 171230946
(1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol
CID 125425283
3-[(1R)-1-amino-4-methylpentyl]pyridin-2-amine
CID 171211340
3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
CID 171230912
3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride
CID 171211338
1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine
CID 79086742
1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 79093187
methyl (3S)-3-amino-3-(2-amino-3-pyridinyl)propanoate;hydrochloride
CID 171243481
2-(1-amino-3-hydroxypropyl)phenol;hydrochloride
CID 170874374
(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
CID 131122997
(4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol
CID 171203504
2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol
CID 165405702

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride (CID 171211346) is (3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride is Cl.Nc1ncccc1[C@H](N)CCO.
What is the InChIKey of (3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride?
The InChIKey is FJKKGKIUFJETIB-OGFXRTJISA-N. The full InChI is InChI=1S/C8H13N3O.ClH/c9-7(3-5-12)6-2-1-4-11-8(6)10;/h1-2,4,7,12H,3,5,9H2,(H2,10,11);1H/t7-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride?
(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171211346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).