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

C14H19N3S — CID 66279967

IUPAC5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine
SMILESCCCC(Nc1ncc(C)cc1N)c1cccs1
InChIInChI=1S/C14H19N3S/c1-3-5-12(13-6-4-7-18-13)17-14-11(15)8-10(2)9-16-14/h4,6-9,12H,3,5,15H2,1-2H3,(H,16,17)
InChIKeySCBVBZQHCPYGSP-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.99
Rot. Bonds5

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

5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine (PubChem CID 66279967) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine
PubChem CID66279967
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine
SMILESCCCC(Nc1ncc(C)cc1N)c1cccs1
InChIInChI=1S/C14H19N3S/c1-3-5-12(13-6-4-7-18-13)17-14-11(15)8-10(2)9-16-14/h4,6-9,12H,3,5,15H2,1-2H3,(H,16,17)
InChIKeySCBVBZQHCPYGSP-UHFFFAOYSA-N
XLogP3.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80808300
2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807804
5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80986238
3,5-dichloro-6-hydrazinyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 102761807
6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine
CID 63271983
5-chloro-6-fluoro-1-N-(1-thiophen-2-ylbutyl)benzene-1,2,4-triamine
CID 103552855
6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 66326238
2-methyl-N-[(1R)-1-thiophen-2-ylbutyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 97155845
N-[(5-methyl-3-pyridinyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 102794806
3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
CID 102757081
methyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate
CID 114405921

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine?
The IUPAC name of 5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine (CID 66279967) is 5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine?
The canonical SMILES for 5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine is CCCC(Nc1ncc(C)cc1N)c1cccs1.
What is the InChIKey of 5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine?
The InChIKey is SCBVBZQHCPYGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-3-5-12(13-6-4-7-18-13)17-14-11(15)8-10(2)9-16-14/h4,6-9,12H,3,5,15H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine?
5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine has a molecular weight of 261.39 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine is sourced from PubChem (CID 66279967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).