(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine

C8H13N3 — CID 131142947

IUPAC(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
SMILESC[C@H](N)[C@@H](N)c1ccccn1
InChIInChI=1S/C8H13N3/c1-6(9)8(10)7-4-2-3-5-11-7/h2-6,8H,9-10H2,1H3/t6-,8+/m0/s1
InChIKeyPKLDKBQQZIPAPT-POYBYMJQSA-N
MW151.21 g/mol
LogP0.43
Rot. Bonds2

About (1R,2S)-1-pyridin-2-ylpropane-1,2-diamine

(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine (PubChem CID 131142947) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (1R,2S)-1-pyridin-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
PubChem CID131142947
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
SMILESC[C@H](N)[C@@H](N)c1ccccn1
InChIInChI=1S/C8H13N3/c1-6(9)8(10)7-4-2-3-5-11-7/h2-6,8H,9-10H2,1H3/t6-,8+/m0/s1
InChIKeyPKLDKBQQZIPAPT-POYBYMJQSA-N
XLogP0.43
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 86767543
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
N-methylmethanamine;1-pyridin-2-ylethanamine
CID 143812006
pyridine;1-pyridin-2-ylethanamine
CID 159737903
(1R)-1-pyridin-2-ylethanesulfonamide
CID 94347246
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
chloro(pyridin-2-yl)methanamine
CID 22075524
2-pyridin-2-ylpropan-1-amine
CID 21481533
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
1-(4-methylphenyl)-2-pyridin-2-ylpropan-1-amine
CID 66446811
1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine
CID 107748726

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-pyridin-2-ylpropane-1,2-diamine?
The IUPAC name of (1R,2S)-1-pyridin-2-ylpropane-1,2-diamine (CID 131142947) is (1R,2S)-1-pyridin-2-ylpropane-1,2-diamine.
What is the SMILES notation for (1R,2S)-1-pyridin-2-ylpropane-1,2-diamine?
The canonical SMILES for (1R,2S)-1-pyridin-2-ylpropane-1,2-diamine is C[C@H](N)[C@@H](N)c1ccccn1.
What is the InChIKey of (1R,2S)-1-pyridin-2-ylpropane-1,2-diamine?
The InChIKey is PKLDKBQQZIPAPT-POYBYMJQSA-N. The full InChI is InChI=1S/C8H13N3/c1-6(9)8(10)7-4-2-3-5-11-7/h2-6,8H,9-10H2,1H3/t6-,8+/m0/s1.
What are the key properties of (1R,2S)-1-pyridin-2-ylpropane-1,2-diamine?
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine has a molecular weight of 151.21 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-pyridin-2-ylpropane-1,2-diamine is sourced from PubChem (CID 131142947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).