(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine

C9H15N3 — CID 104868129

IUPAC(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
SMILESC[C@H](CN)NCc1cccnc1
InChIInChI=1S/C9H15N3/c1-8(5-10)12-7-9-3-2-4-11-6-9/h2-4,6,8,12H,5,7,10H2,1H3/t8-/m1/s1
InChIKeyOFSLHONOVZPYMU-MRVPVSSYSA-N
MW165.24 g/mol
LogP0.52
Rot. Bonds4

About (2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine

(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine (PubChem CID 104868129) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
PubChem CID104868129
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
SMILESC[C@H](CN)NCc1cccnc1
InChIInChI=1S/C9H15N3/c1-8(5-10)12-7-9-3-2-4-11-6-9/h2-4,6,8,12H,5,7,10H2,1H3/t8-/m1/s1
InChIKeyOFSLHONOVZPYMU-MRVPVSSYSA-N
XLogP0.52
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(pyridin-3-ylmethyl)butan-2-amine
CID 83187736
(4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol
CID 97051697
1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 54864314
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
methyl (2S)-2-(pyridin-3-ylmethylamino)propanoate
CID 43723601
1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 115655378
6,6,6-trifluoro-N-(pyridin-3-ylmethyl)hexan-2-amine
CID 116534120
1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 61167930
N-(pyridin-3-ylmethyl)heptan-4-amine
CID 28671703
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 43225601
1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 78950275

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of (2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine (CID 104868129) is (2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine is C[C@H](CN)NCc1cccnc1.
What is the InChIKey of (2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
The InChIKey is OFSLHONOVZPYMU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8(5-10)12-7-9-3-2-4-11-6-9/h2-4,6,8,12H,5,7,10H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine has a molecular weight of 165.24 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 104868129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).