3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine

C14H19N3S — CID 114055989

IUPAC3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
SMILESCC(c1cccs1)N(C)c1ncccc1[C@@H](C)N
InChIInChI=1S/C14H19N3S/c1-10(15)12-6-4-8-16-14(12)17(3)11(2)13-7-5-9-18-13/h4-11H,15H2,1-3H3/t10-,11?/m1/s1
InChIKeyVXWBQOUTNXDOSY-NFJWQWPMSA-N
MW261.39 g/mol
LogP3.36
Rot. Bonds4

About 3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine

3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine (PubChem CID 114055989) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
PubChem CID114055989
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
SMILESCC(c1cccs1)N(C)c1ncccc1[C@@H](C)N
InChIInChI=1S/C14H19N3S/c1-10(15)12-6-4-8-16-14(12)17(3)11(2)13-7-5-9-18-13/h4-11H,15H2,1-3H3/t10-,11?/m1/s1
InChIKeyVXWBQOUTNXDOSY-NFJWQWPMSA-N
XLogP3.36
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 80804482
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine
CID 80508987
3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 104506605
3-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 114055996
2-hydrazinyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80904270
2-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80905612
2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79072473
6-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80905406
2-chloro-5-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79081658
4-N,5-dimethyl-2-propan-2-yl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80987613
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 54980987
3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 114056087

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine?
The IUPAC name of 3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine (CID 114055989) is 3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine?
The canonical SMILES for 3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine is CC(c1cccs1)N(C)c1ncccc1[C@@H](C)N.
What is the InChIKey of 3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine?
The InChIKey is VXWBQOUTNXDOSY-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10(15)12-6-4-8-16-14(12)17(3)11(2)13-7-5-9-18-13/h4-11H,15H2,1-3H3/t10-,11?/m1/s1.
What are the key properties of 3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine?
3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine is sourced from PubChem (CID 114055989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).