(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine

C8H14N4 — CID 131122997

IUPAC(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
SMILESC[C@H](N)[C@@H](N)c1cccnc1N
InChIInChI=1S/C8H14N4/c1-5(9)7(10)6-3-2-4-12-8(6)11/h2-5,7H,9-10H2,1H3,(H2,11,12)/t5-,7+/m0/s1
InChIKeyVCEVNLXSZLZOED-CAHLUQPWSA-N
MW166.23 g/mol
LogP0.01
Rot. Bonds2

About (1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine

(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine (PubChem CID 131122997) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is (1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
PubChem CID131122997
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
SMILESC[C@H](N)[C@@H](N)c1cccnc1N
InChIInChI=1S/C8H14N4/c1-5(9)7(10)6-3-2-4-12-8(6)11/h2-5,7H,9-10H2,1H3,(H2,11,12)/t5-,7+/m0/s1
InChIKeyVCEVNLXSZLZOED-CAHLUQPWSA-N
XLogP0.01
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-amino-1-(2-amino-3-pyridinyl)propan-2-ol
CID 130961552
3-(1-amino-2,2-dimethoxyethyl)pyridin-2-amine
CID 79492532
3-[(1R)-1-amino-4-methylpentyl]pyridin-2-amine
CID 171211340
3-(1-amino-2-methoxybutyl)pyridin-2-amine
CID 116715178
3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
CID 171230912
3-(1-amino-2-ethoxybutyl)pyridin-2-amine
CID 116716352
3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine
CID 107443651
2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol
CID 165405702
3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine
CID 176663633
(1S)-1-(2-methyl-3-pyridinyl)ethanamine
CID 94864826
(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

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine?
The IUPAC name of (1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine (CID 131122997) is (1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine.
What is the SMILES notation for (1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine?
The canonical SMILES for (1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine is C[C@H](N)[C@@H](N)c1cccnc1N.
What is the InChIKey of (1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine?
The InChIKey is VCEVNLXSZLZOED-CAHLUQPWSA-N. The full InChI is InChI=1S/C8H14N4/c1-5(9)7(10)6-3-2-4-12-8(6)11/h2-5,7H,9-10H2,1H3,(H2,11,12)/t5-,7+/m0/s1.
What are the key properties of (1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine?
(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine has a molecular weight of 166.23 g/mol, XLogP of 0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine is sourced from PubChem (CID 131122997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).