(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine

C12H20N2 — CID 28618020

IUPAC(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
SMILESCC[C@H](C)[C@H](C)NCc1ccccn1
InChIInChI=1S/C12H20N2/c1-4-10(2)11(3)14-9-12-7-5-6-8-13-12/h5-8,10-11,14H,4,9H2,1-3H3/t10-,11-/m0/s1
InChIKeyRFAXNAZCWDGXML-QWRGUYRKSA-N
MW192.31 g/mol
LogP2.61
Rot. Bonds5

About (2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine

(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine (PubChem CID 28618020) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
PubChem CID28618020
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
SMILESCC[C@H](C)[C@H](C)NCc1ccccn1
InChIInChI=1S/C12H20N2/c1-4-10(2)11(3)14-9-12-7-5-6-8-13-12/h5-8,10-11,14H,4,9H2,1-3H3/t10-,11-/m0/s1
InChIKeyRFAXNAZCWDGXML-QWRGUYRKSA-N
XLogP2.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 43201494
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 115626100
6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol
CID 79781532
(2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol
CID 97238015
(2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine
CID 95274019
1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 103109745
N-(pyridin-2-ylmethyl)octan-2-amine
CID 43085262
N-ethyl-4-methyl-1-pyridin-2-ylhexan-3-amine
CID 105170568
1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol
CID 111421815
(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
(2R,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611865
1-(1-methylcyclopropyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43363176

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine?
The IUPAC name of (2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine (CID 28618020) is (2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine.
What is the SMILES notation for (2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine?
The canonical SMILES for (2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine is CC[C@H](C)[C@H](C)NCc1ccccn1.
What is the InChIKey of (2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine?
The InChIKey is RFAXNAZCWDGXML-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-10(2)11(3)14-9-12-7-5-6-8-13-12/h5-8,10-11,14H,4,9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine?
(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine has a molecular weight of 192.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine is sourced from PubChem (CID 28618020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).