N-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine

C16H23N3S — CID 81247060

IUPACN-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine
SMILESCC(C)CNCc1cnccc1N(C)Cc1ccsc1
InChIInChI=1S/C16H23N3S/c1-13(2)8-18-10-15-9-17-6-4-16(15)19(3)11-14-5-7-20-12-14/h4-7,9,12-13,18H,8,10-11H2,1-3H3
InChIKeyZDFUYRVIMFIIPB-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.53
Rot. Bonds7

About N-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine

N-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine (PubChem CID 81247060) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine
PubChem CID81247060
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine
SMILESCC(C)CNCc1cnccc1N(C)Cc1ccsc1
InChIInChI=1S/C16H23N3S/c1-13(2)8-18-10-15-9-17-6-4-16(15)19(3)11-14-5-7-20-12-14/h4-7,9,12-13,18H,8,10-11H2,1-3H3
InChIKeyZDFUYRVIMFIIPB-UHFFFAOYSA-N
XLogP3.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline
CID 63059318
N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 81246573
N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55112581
3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81246247
N-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine
CID 81249699
3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 81249417
N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine
CID 81253106
N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine
CID 81246655
N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline
CID 63060222
N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81249546
N-methyl-3-(methylaminomethyl)-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 81246986
2-methyl-N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62421401

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine?
The IUPAC name of N-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine (CID 81247060) is N-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine.
What is the SMILES notation for N-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine?
The canonical SMILES for N-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine is CC(C)CNCc1cnccc1N(C)Cc1ccsc1.
What is the InChIKey of N-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine?
The InChIKey is ZDFUYRVIMFIIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-13(2)8-18-10-15-9-17-6-4-16(15)19(3)11-14-5-7-20-12-14/h4-7,9,12-13,18H,8,10-11H2,1-3H3.
What are the key properties of N-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine?
N-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine has a molecular weight of 289.45 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 81247060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).