3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine

C14H19N3S — CID 62477928

IUPAC3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine
SMILESCc1cc(N)cnc1NC(c1cccs1)C(C)C
InChIInChI=1S/C14H19N3S/c1-9(2)13(12-5-4-6-18-12)17-14-10(3)7-11(15)8-16-14/h4-9,13H,15H2,1-3H3,(H,16,17)
InChIKeyJAKFXZUYABQDBW-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.84
Rot. Bonds4

About 3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine

3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine (PubChem CID 62477928) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine
PubChem CID62477928
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine
SMILESCc1cc(N)cnc1NC(c1cccs1)C(C)C
InChIInChI=1S/C14H19N3S/c1-9(2)13(12-5-4-6-18-12)17-14-10(3)7-11(15)8-16-14/h4-9,13H,15H2,1-3H3,(H,16,17)
InChIKeyJAKFXZUYABQDBW-UHFFFAOYSA-N
XLogP3.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
CID 103467928
5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807481
2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765887
6-hydrazinyl-2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80904535
4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
CID 60667183
6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine
CID 114070560
6-hydrazinyl-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80901918
2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine
CID 55080459
4-fluoro-5-methyl-1-N-(2-methyl-1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 103590138
2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine
CID 55080552
2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine
CID 62475884
2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534379

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine?
The IUPAC name of 3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine (CID 62477928) is 3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine?
The canonical SMILES for 3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine is Cc1cc(N)cnc1NC(c1cccs1)C(C)C.
What is the InChIKey of 3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine?
The InChIKey is JAKFXZUYABQDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-9(2)13(12-5-4-6-18-12)17-14-10(3)7-11(15)8-16-14/h4-9,13H,15H2,1-3H3,(H,16,17).
What are the key properties of 3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine?
3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine has a molecular weight of 261.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine is sourced from PubChem (CID 62477928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).