N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine

C17H25N3S — CID 62281991

IUPACN-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine
SMILESCC(C)CNCc1ccnc(N(C)C(C)c2cccs2)c1
InChIInChI=1S/C17H25N3S/c1-13(2)11-18-12-15-7-8-19-17(10-15)20(4)14(3)16-6-5-9-21-16/h5-10,13-14,18H,11-12H2,1-4H3
InChIKeyMLBYGUHDLDLTJH-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.09
Rot. Bonds7

About N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine

N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine (PubChem CID 62281991) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine
PubChem CID62281991
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine
SMILESCC(C)CNCc1ccnc(N(C)C(C)c2cccs2)c1
InChIInChI=1S/C17H25N3S/c1-13(2)11-18-12-15-7-8-19-17(10-15)20(4)14(3)16-6-5-9-21-16/h5-10,13-14,18H,11-12H2,1-4H3
InChIKeyMLBYGUHDLDLTJH-UHFFFAOYSA-N
XLogP4.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 54980987
3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-methyl-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 94030945
N-methyl-4-[(2-methylpropylamino)methyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62282252
N-methyl-4-[(2-methylpropylamino)methyl]-N-phenylpyridin-2-amine
CID 62286623
N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 115987705
N,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine
CID 63699684
N-cyclopentyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280559
N-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62292926
N'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine
CID 102997386
2-(ethylaminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-4-amine
CID 55059591
2-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80905612
6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80804570

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine?
The IUPAC name of N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine (CID 62281991) is N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine is CC(C)CNCc1ccnc(N(C)C(C)c2cccs2)c1.
What is the InChIKey of N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine?
The InChIKey is MLBYGUHDLDLTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-13(2)11-18-12-15-7-8-19-17(10-15)20(4)14(3)16-6-5-9-21-16/h5-10,13-14,18H,11-12H2,1-4H3.
What are the key properties of N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine?
N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine has a molecular weight of 303.47 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine is sourced from PubChem (CID 62281991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).