4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine

C14H25N3S — CID 65132138

IUPAC4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine
SMILESCCCNC(CSC(C)C)Cc1ccnc(N)c1
InChIInChI=1S/C14H25N3S/c1-4-6-16-13(10-18-11(2)3)8-12-5-7-17-14(15)9-12/h5,7,9,11,13,16H,4,6,8,10H2,1-3H3,(H2,15,17)
InChIKeyFATKKIOMUNUMCI-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.72
Rot. Bonds8

About 4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine

4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine (PubChem CID 65132138) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine
PubChem CID65132138
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine
SMILESCCCNC(CSC(C)C)Cc1ccnc(N)c1
InChIInChI=1S/C14H25N3S/c1-4-6-16-13(10-18-11(2)3)8-12-5-7-17-14(15)9-12/h5,7,9,11,13,16H,4,6,8,10H2,1-3H3,(H2,15,17)
InChIKeyFATKKIOMUNUMCI-UHFFFAOYSA-N
XLogP2.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093708
4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine
CID 106815088
4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine
CID 64533806
4-[2-(methylamino)-3-propylsulfanylpropyl]pyridin-2-amine
CID 65129317
4-[3-methoxy-2-(propylamino)hexyl]pyridin-2-amine
CID 116719566
4-[3-(4-bromophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
CID 66055710
4-[2-(2-methylpyrimidin-4-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115530998
4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine
CID 116727253
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131905
4-[2-(2-methylfuran-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 104790403
4-(2-hydrazinylpropyl)pyridin-2-amine
CID 105201271
4-(3-ethoxy-2-hydrazinylpropyl)pyridin-2-amine
CID 105235296

Frequently Asked Questions

What is the IUPAC name of 4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine?
The IUPAC name of 4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine (CID 65132138) is 4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine.
What is the SMILES notation for 4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine?
The canonical SMILES for 4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine is CCCNC(CSC(C)C)Cc1ccnc(N)c1.
What is the InChIKey of 4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine?
The InChIKey is FATKKIOMUNUMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-6-16-13(10-18-11(2)3)8-12-5-7-17-14(15)9-12/h5,7,9,11,13,16H,4,6,8,10H2,1-3H3,(H2,15,17).
What are the key properties of 4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine?
4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine has a molecular weight of 267.44 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine is sourced from PubChem (CID 65132138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).