N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine

C15H21N3S — CID 81249546

IUPACN-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
SMILESCCCNCc1cnccc1N(C)Cc1cccs1
InChIInChI=1S/C15H21N3S/c1-3-7-16-10-13-11-17-8-6-15(13)18(2)12-14-5-4-9-19-14/h4-6,8-9,11,16H,3,7,10,12H2,1-2H3
InChIKeyXRQMIQXLWOQLNN-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.28
Rot. Bonds7

About N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine

N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine (PubChem CID 81249546) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
PubChem CID81249546
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
SMILESCCCNCc1cnccc1N(C)Cc1cccs1
InChIInChI=1S/C15H21N3S/c1-3-7-16-10-13-11-17-8-6-15(13)18(2)12-14-5-4-9-19-14/h4-6,8-9,11,16H,3,7,10,12H2,1-2H3
InChIKeyXRQMIQXLWOQLNN-UHFFFAOYSA-N
XLogP3.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105073477
N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine
CID 81253106
5-bromo-N-methyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43527761
3-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81246160
N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine
CID 81246655
[3-[methyl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol
CID 105066711
N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247682
5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81250101
N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 61437944
N-methyl-N-(2-propan-2-yloxyethyl)-3-(propylaminomethyl)pyridin-4-amine
CID 81247408
N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249392
N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine
CID 81246240

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine?
The IUPAC name of N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine (CID 81249546) is N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine.
What is the SMILES notation for N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine?
The canonical SMILES for N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine is CCCNCc1cnccc1N(C)Cc1cccs1.
What is the InChIKey of N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine?
The InChIKey is XRQMIQXLWOQLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-7-16-10-13-11-17-8-6-15(13)18(2)12-14-5-4-9-19-14/h4-6,8-9,11,16H,3,7,10,12H2,1-2H3.
What are the key properties of N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine?
N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine has a molecular weight of 275.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 81249546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).