5-(2-aminopropyl)-N,3-dimethyl-N-(thiolan-3-yl)pyridin-2-amine

C14H23N3S — CID 80633664

IUPAC5-(2-aminopropyl)-N,3-dimethyl-N-(thiolan-3-yl)pyridin-2-amine
SMILESCc1cc(CC(C)N)cnc1N(C)C1CCSC1
InChIInChI=1S/C14H23N3S/c1-10-6-12(7-11(2)15)8-16-14(10)17(3)13-4-5-18-9-13/h6,8,11,13H,4-5,7,9,15H2,1-3H3
InChIKeyPIGWPGKKZNJHBT-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.22
Rot. Bonds4

About 5-(2-aminopropyl)-N,3-dimethyl-N-(thiolan-3-yl)pyridin-2-amine

5-(2-aminopropyl)-N,3-dimethyl-N-(thiolan-3-yl)pyridin-2-amine (PubChem CID 80633664) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N,3-dimethyl-N-(thiolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-N,3-dimethyl-N-(thiolan-3-yl)pyridin-2-amine
PubChem CID80633664
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name5-(2-aminopropyl)-N,3-dimethyl-N-(thiolan-3-yl)pyridin-2-amine
SMILESCc1cc(CC(C)N)cnc1N(C)C1CCSC1
InChIInChI=1S/C14H23N3S/c1-10-6-12(7-11(2)15)8-16-14(10)17(3)13-4-5-18-9-13/h6,8,11,13H,4-5,7,9,15H2,1-3H3
InChIKeyPIGWPGKKZNJHBT-UHFFFAOYSA-N
XLogP2.22
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine
CID 80630168
5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
CID 80633578
5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine
CID 80634568
5-(2-aminopropyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80634944
5-(2-aminoethyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
CID 80633656
3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine
CID 62280428
5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine
CID 80637344
6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine
CID 83122062
5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
CID 107079358
5-(chloromethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
CID 80627987
5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine
CID 80630561
3-bromo-2-N,4-dimethyl-2-N-(thiolan-3-yl)pyridine-2,5-diamine
CID 104506386

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-N,3-dimethyl-N-(thiolan-3-yl)pyridin-2-amine?
The IUPAC name of 5-(2-aminopropyl)-N,3-dimethyl-N-(thiolan-3-yl)pyridin-2-amine (CID 80633664) is 5-(2-aminopropyl)-N,3-dimethyl-N-(thiolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-(2-aminopropyl)-N,3-dimethyl-N-(thiolan-3-yl)pyridin-2-amine?
The canonical SMILES for 5-(2-aminopropyl)-N,3-dimethyl-N-(thiolan-3-yl)pyridin-2-amine is Cc1cc(CC(C)N)cnc1N(C)C1CCSC1.
What is the InChIKey of 5-(2-aminopropyl)-N,3-dimethyl-N-(thiolan-3-yl)pyridin-2-amine?
The InChIKey is PIGWPGKKZNJHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-10-6-12(7-11(2)15)8-16-14(10)17(3)13-4-5-18-9-13/h6,8,11,13H,4-5,7,9,15H2,1-3H3.
What are the key properties of 5-(2-aminopropyl)-N,3-dimethyl-N-(thiolan-3-yl)pyridin-2-amine?
5-(2-aminopropyl)-N,3-dimethyl-N-(thiolan-3-yl)pyridin-2-amine has a molecular weight of 265.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-N,3-dimethyl-N-(thiolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 80633664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).