3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine

C11H19N3S — CID 65129254

IUPAC3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine
SMILESCCCSCC(N)Cc1cnccc1N
InChIInChI=1S/C11H19N3S/c1-2-5-15-8-10(12)6-9-7-14-4-3-11(9)13/h3-4,7,10H,2,5-6,8,12H2,1H3,(H2,13,14)
InChIKeyGQDPEXXBBAWCQH-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.68
Rot. Bonds6

About 3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine

3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine (PubChem CID 65129254) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine
PubChem CID65129254
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine
SMILESCCCSCC(N)Cc1cnccc1N
InChIInChI=1S/C11H19N3S/c1-2-5-15-8-10(12)6-9-7-14-4-3-11(9)13/h3-4,7,10H,2,5-6,8,12H2,1H3,(H2,13,14)
InChIKeyGQDPEXXBBAWCQH-UHFFFAOYSA-N
XLogP1.68
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorobutyl)pyridin-4-amine
CID 130480258
1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
CID 79053969
1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine
CID 65128844
3-(2-hydrazinyl-3-methylbutyl)pyridin-4-amine
CID 105199730
1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol
CID 103449230
3-[3-(ethylamino)-2-methylpropyl]pyridin-4-amine
CID 64663911
3-(bromomethyl)pyridin-4-amine
CID 18674607
3-(4-chloro-2-methylpentyl)pyridin-4-amine
CID 64721238
3-(2-hydrazinyl-3-methoxypentyl)pyridin-4-amine
CID 105270886
3-[2-amino-2-(1-ethoxycyclohexyl)ethyl]pyridin-4-amine
CID 116763733
1-isoquinolin-5-yl-2-propylsulfanylethanamine
CID 65128548
1-(1-ethylpyrazol-4-yl)-3-propylsulfanylpropan-2-amine
CID 65128491

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine?
The IUPAC name of 3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine (CID 65129254) is 3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine.
What is the SMILES notation for 3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine?
The canonical SMILES for 3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine is CCCSCC(N)Cc1cnccc1N.
What is the InChIKey of 3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine?
The InChIKey is GQDPEXXBBAWCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-2-5-15-8-10(12)6-9-7-14-4-3-11(9)13/h3-4,7,10H,2,5-6,8,12H2,1H3,(H2,13,14).
What are the key properties of 3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine?
3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine has a molecular weight of 225.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine is sourced from PubChem (CID 65129254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).