N-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine

C15H19N3S — CID 81247478

IUPACN-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
SMILESCNCc1cnccc1N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H19N3S/c1-16-9-12-10-17-7-6-15(12)18(13-4-5-13)11-14-3-2-8-19-14/h2-3,6-8,10,13,16H,4-5,9,11H2,1H3
InChIKeyXYHYHPJUKQZGQU-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.03
Rot. Bonds6

About N-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine

N-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine (PubChem CID 81247478) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
PubChem CID81247478
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
SMILESCNCc1cnccc1N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H19N3S/c1-16-9-12-10-17-7-6-15(12)18(13-4-5-13)11-14-3-2-8-19-14/h2-3,6-8,10,13,16H,4-5,9,11H2,1H3
InChIKeyXYHYHPJUKQZGQU-UHFFFAOYSA-N
XLogP3.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105073669
2-chloro-N-cyclopropyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 81148558
N-ethyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105073508
N-cyclopentyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-4-amine
CID 81247339
5-chloro-N-cyclopropyl-6-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62288900
N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81249546
N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61448745
N-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline
CID 61449002
2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline
CID 107926092
3-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81246160
N-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81253260
N-cycloheptyl-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81247152

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine?
The IUPAC name of N-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine (CID 81247478) is N-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine.
What is the SMILES notation for N-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine?
The canonical SMILES for N-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine is CNCc1cnccc1N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine?
The InChIKey is XYHYHPJUKQZGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-16-9-12-10-17-7-6-15(12)18(13-4-5-13)11-14-3-2-8-19-14/h2-3,6-8,10,13,16H,4-5,9,11H2,1H3.
What are the key properties of N-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine?
N-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine has a molecular weight of 273.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 81247478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).