5-[[methyl(thiolan-3-yl)amino]methyl]-N-propylpyridin-2-amine

C14H23N3S — CID 62183800

IUPAC5-[[methyl(thiolan-3-yl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CN(C)C2CCSC2)cn1
InChIInChI=1S/C14H23N3S/c1-3-7-15-14-5-4-12(9-16-14)10-17(2)13-6-8-18-11-13/h4-5,9,13H,3,6-8,10-11H2,1-2H3,(H,15,16)
InChIKeyUEUHEZJMKVIPMW-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.84
Rot. Bonds6

About 5-[[methyl(thiolan-3-yl)amino]methyl]-N-propylpyridin-2-amine

5-[[methyl(thiolan-3-yl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 62183800) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 5-[[methyl(thiolan-3-yl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-[[methyl(thiolan-3-yl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID62183800
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name5-[[methyl(thiolan-3-yl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CN(C)C2CCSC2)cn1
InChIInChI=1S/C14H23N3S/c1-3-7-15-14-5-4-12(9-16-14)10-17(2)13-6-8-18-11-13/h4-5,9,13H,3,6-8,10-11H2,1-2H3,(H,15,16)
InChIKeyUEUHEZJMKVIPMW-UHFFFAOYSA-N
XLogP2.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 62546994
5-[[1-cyclopropylethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62182940
5-[[cyclobutylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62861753
5-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62183438
5-[[cycloheptyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 62183656
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine
CID 105346911
5-[(dipropylamino)methyl]-N-propylpyridin-2-amine
CID 62183383
N,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine
CID 63698946
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 62183942
N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
CID 43296812
5-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62207861
5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 63711460

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(thiolan-3-yl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-[[methyl(thiolan-3-yl)amino]methyl]-N-propylpyridin-2-amine (CID 62183800) is 5-[[methyl(thiolan-3-yl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-[[methyl(thiolan-3-yl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-[[methyl(thiolan-3-yl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1ccc(CN(C)C2CCSC2)cn1.
What is the InChIKey of 5-[[methyl(thiolan-3-yl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is UEUHEZJMKVIPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-3-7-15-14-5-4-12(9-16-14)10-17(2)13-6-8-18-11-13/h4-5,9,13H,3,6-8,10-11H2,1-2H3,(H,15,16).
What are the key properties of 5-[[methyl(thiolan-3-yl)amino]methyl]-N-propylpyridin-2-amine?
5-[[methyl(thiolan-3-yl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 265.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(thiolan-3-yl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62183800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).