(2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol

C13H23N3O — CID 114982685

IUPAC(2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
SMILESCCCNc1cc(N[C@H](CO)C(C)C)ccn1
InChIInChI=1S/C13H23N3O/c1-4-6-14-13-8-11(5-7-15-13)16-12(9-17)10(2)3/h5,7-8,10,12,17H,4,6,9H2,1-3H3,(H2,14,15,16)/t12-/m1/s1
InChIKeyMNXUNUWNXPSMSQ-GFCCVEGCSA-N
MW237.35 g/mol
LogP2.33
Rot. Bonds7

About (2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol

(2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol (PubChem CID 114982685) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
PubChem CID114982685
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
SMILESCCCNc1cc(N[C@H](CO)C(C)C)ccn1
InChIInChI=1S/C13H23N3O/c1-4-6-14-13-8-11(5-7-15-13)16-12(9-17)10(2)3/h5,7-8,10,12,17H,4,6,9H2,1-3H3,(H2,14,15,16)/t12-/m1/s1
InChIKeyMNXUNUWNXPSMSQ-GFCCVEGCSA-N
XLogP2.33
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol with MolForge

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Related Compounds

2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
CID 113484591
(2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol
CID 114985818
3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
CID 104535214
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid
CID 79250554
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-N-propylpyridine-2,4-diamine
CID 106390258
3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol
CID 80848976
4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine
CID 113367858
1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol
CID 114094092
4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine
CID 107818927
2-[(4-amino-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79248276
2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 79254832
4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-propylpyridine-2,4-diamine
CID 113367699

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol (CID 114982685) is (2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol is CCCNc1cc(N[C@H](CO)C(C)C)ccn1.
What is the InChIKey of (2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol?
The InChIKey is MNXUNUWNXPSMSQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-6-14-13-8-11(5-7-15-13)16-12(9-17)10(2)3/h5,7-8,10,12,17H,4,6,9H2,1-3H3,(H2,14,15,16)/t12-/m1/s1.
What are the key properties of (2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol?
(2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol is sourced from PubChem (CID 114982685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).