5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine

C13H17N3S — CID 104533407

IUPAC5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
SMILESCC(C)N(Cc1cccs1)c1cncc(N)c1
InChIInChI=1S/C13H17N3S/c1-10(2)16(9-13-4-3-5-17-13)12-6-11(14)7-15-8-12/h3-8,10H,9,14H2,1-2H3
InChIKeyHVSSTIQGHDDQGA-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.14
Rot. Bonds4

About 5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine

5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine (PubChem CID 104533407) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
PubChem CID104533407
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
SMILESCC(C)N(Cc1cccs1)c1cncc(N)c1
InChIInChI=1S/C13H17N3S/c1-10(2)16(9-13-4-3-5-17-13)12-6-11(14)7-15-8-12/h3-8,10H,9,14H2,1-2H3
InChIKeyHVSSTIQGHDDQGA-UHFFFAOYSA-N
XLogP3.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine
CID 104535249
2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine
CID 54946553
2-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 62286889
3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 102813686
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79917686
5-amino-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide
CID 61453095
5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine
CID 54946602
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809772
3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 105367794
(1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938524
4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 107274799
3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 102756801

Frequently Asked Questions

What is the IUPAC name of 5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine?
The IUPAC name of 5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine (CID 104533407) is 5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine.
What is the SMILES notation for 5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine?
The canonical SMILES for 5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine is CC(C)N(Cc1cccs1)c1cncc(N)c1.
What is the InChIKey of 5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine?
The InChIKey is HVSSTIQGHDDQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10(2)16(9-13-4-3-5-17-13)12-6-11(14)7-15-8-12/h3-8,10H,9,14H2,1-2H3.
What are the key properties of 5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine?
5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine has a molecular weight of 247.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine is sourced from PubChem (CID 104533407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).