5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine

C13H21N3S — CID 112662259

IUPAC5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCSCCN(C)c1ccc(CNC2CC2)cn1
InChIInChI=1S/C13H21N3S/c1-16(7-8-17-2)13-6-3-11(10-15-13)9-14-12-4-5-12/h3,6,10,12,14H,4-5,7-9H2,1-2H3
InChIKeyMXABOUIDQXPWJG-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.13
Rot. Bonds7

About 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine

5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine (PubChem CID 112662259) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
PubChem CID112662259
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCSCCN(C)c1ccc(CNC2CC2)cn1
InChIInChI=1S/C13H21N3S/c1-16(7-8-17-2)13-6-3-11(10-15-13)9-14-12-4-5-12/h3,6,10,12,14H,4-5,7-9H2,1-2H3
InChIKeyMXABOUIDQXPWJG-UHFFFAOYSA-N
XLogP2.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 63008122
N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62287672
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62280084
5-[(cyclopropylamino)methyl]-N-methyl-N-phenylpyridin-2-amine
CID 62285256
2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide
CID 80629554
5-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63024808
N-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 62278694
N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]pyridin-2-amine
CID 62289463
3-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
CID 106916818
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 63940452
N-cyclopentyl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 62281128
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine (CID 112662259) is 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine is CSCCN(C)c1ccc(CNC2CC2)cn1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The InChIKey is MXABOUIDQXPWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-16(7-8-17-2)13-6-3-11(10-15-13)9-14-12-4-5-12/h3,6,10,12,14H,4-5,7-9H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine has a molecular weight of 251.40 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine is sourced from PubChem (CID 112662259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).