4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine

C13H17N3S — CID 54980987

IUPAC4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
SMILESCC(c1cccs1)N(C)c1cc(CN)ccn1
InChIInChI=1S/C13H17N3S/c1-10(12-4-3-7-17-12)16(2)13-8-11(9-14)5-6-15-13/h3-8,10H,9,14H2,1-2H3
InChIKeyXVOUJJLZLIGTGJ-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.80
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine

4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine (PubChem CID 54980987) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
PubChem CID54980987
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
SMILESCC(c1cccs1)N(C)c1cc(CN)ccn1
InChIInChI=1S/C13H17N3S/c1-10(12-4-3-7-17-12)16(2)13-8-11(9-14)5-6-15-13/h3-8,10H,9,14H2,1-2H3
InChIKeyXVOUJJLZLIGTGJ-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 62281991
6-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine
CID 62286701
4-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 54948539
4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470037
2-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80905612
3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-methyl-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 94030945
6-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80905406
6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80804570
N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 79259173
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine
CID 80508987
2-(ethylaminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-4-amine
CID 55059591
N-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylethyl)pyrazin-2-amine
CID 107379415

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine (CID 54980987) is 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine is CC(c1cccs1)N(C)c1cc(CN)ccn1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine?
The InChIKey is XVOUJJLZLIGTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10(12-4-3-7-17-12)16(2)13-8-11(9-14)5-6-15-13/h3-8,10H,9,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine?
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine has a molecular weight of 247.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine is sourced from PubChem (CID 54980987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).