2-propan-2-yl-N'-[(1R)-1-pyridin-2-ylethyl]propane-1,3-diamine

C13H23N3 — CID 107442532

IUPAC2-propan-2-yl-N'-[(1R)-1-pyridin-2-ylethyl]propane-1,3-diamine
SMILESCC(C)C(CN)CN[C@H](C)c1ccccn1
InChIInChI=1S/C13H23N3/c1-10(2)12(8-14)9-16-11(3)13-6-4-5-7-15-13/h4-7,10-12,16H,8-9,14H2,1-3H3/t11-,12?/m1/s1
InChIKeyIKSFWZXKQHODGC-JHJMLUEUSA-N
MW221.35 g/mol
LogP1.96
Rot. Bonds6

About 2-propan-2-yl-N'-[(1R)-1-pyridin-2-ylethyl]propane-1,3-diamine

2-propan-2-yl-N'-[(1R)-1-pyridin-2-ylethyl]propane-1,3-diamine (PubChem CID 107442532) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-propan-2-yl-N'-[(1R)-1-pyridin-2-ylethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-propan-2-yl-N'-[(1R)-1-pyridin-2-ylethyl]propane-1,3-diamine
PubChem CID107442532
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-propan-2-yl-N'-[(1R)-1-pyridin-2-ylethyl]propane-1,3-diamine
SMILESCC(C)C(CN)CN[C@H](C)c1ccccn1
InChIInChI=1S/C13H23N3/c1-10(2)12(8-14)9-16-11(3)13-6-4-5-7-15-13/h4-7,10-12,16H,8-9,14H2,1-3H3/t11-,12?/m1/s1
InChIKeyIKSFWZXKQHODGC-JHJMLUEUSA-N
XLogP1.96
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
2-ethyl-N-[(1R)-1-pyridin-2-ylethyl]butan-1-amine
CID 28647872
2-methyl-3-methylsulfanyl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 63982135
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
CID 81401299
1-phenyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 43394637
1-phenyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81407252
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
methyl 2-bromo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 103258322
N-[(1S)-1-pyridin-2-ylethyl]but-2-yn-1-amine
CID 81402313
2-pyridin-2-ylpropan-1-amine
CID 21481533

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N'-[(1R)-1-pyridin-2-ylethyl]propane-1,3-diamine?
The IUPAC name of 2-propan-2-yl-N'-[(1R)-1-pyridin-2-ylethyl]propane-1,3-diamine (CID 107442532) is 2-propan-2-yl-N'-[(1R)-1-pyridin-2-ylethyl]propane-1,3-diamine.
What is the SMILES notation for 2-propan-2-yl-N'-[(1R)-1-pyridin-2-ylethyl]propane-1,3-diamine?
The canonical SMILES for 2-propan-2-yl-N'-[(1R)-1-pyridin-2-ylethyl]propane-1,3-diamine is CC(C)C(CN)CN[C@H](C)c1ccccn1.
What is the InChIKey of 2-propan-2-yl-N'-[(1R)-1-pyridin-2-ylethyl]propane-1,3-diamine?
The InChIKey is IKSFWZXKQHODGC-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)12(8-14)9-16-11(3)13-6-4-5-7-15-13/h4-7,10-12,16H,8-9,14H2,1-3H3/t11-,12?/m1/s1.
What are the key properties of 2-propan-2-yl-N'-[(1R)-1-pyridin-2-ylethyl]propane-1,3-diamine?
2-propan-2-yl-N'-[(1R)-1-pyridin-2-ylethyl]propane-1,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N'-[(1R)-1-pyridin-2-ylethyl]propane-1,3-diamine is sourced from PubChem (CID 107442532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).