1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine

C13H23N3S — CID 112657794

IUPAC1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine
SMILESCSCC(C)N(C)C(c1cccnc1)C(C)N
InChIInChI=1S/C13H23N3S/c1-10(9-17-4)16(3)13(11(2)14)12-6-5-7-15-8-12/h5-8,10-11,13H,9,14H2,1-4H3
InChIKeyAVDJYZNMTLNEMN-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.15
Rot. Bonds6

About 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine

1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine (PubChem CID 112657794) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine
PubChem CID112657794
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine
SMILESCSCC(C)N(C)C(c1cccnc1)C(C)N
InChIInChI=1S/C13H23N3S/c1-10(9-17-4)16(3)13(11(2)14)12-6-5-7-15-8-12/h5-8,10-11,13H,9,14H2,1-4H3
InChIKeyAVDJYZNMTLNEMN-UHFFFAOYSA-N
XLogP2.15
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine
CID 112657642
1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79476253
1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine
CID 107869311
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine
CID 81059160
1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 55017455
2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide
CID 62923105
1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol
CID 55061112
1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine
CID 107748954
(1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine
CID 130465955
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine
CID 102980637

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine (CID 112657794) is 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine is CSCC(C)N(C)C(c1cccnc1)C(C)N.
What is the InChIKey of 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine?
The InChIKey is AVDJYZNMTLNEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10(9-17-4)16(3)13(11(2)14)12-6-5-7-15-8-12/h5-8,10-11,13H,9,14H2,1-4H3.
What are the key properties of 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine?
1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine has a molecular weight of 253.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine is sourced from PubChem (CID 112657794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).