5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine

C17H23N3S — CID 80636888

IUPAC5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
SMILESCc1cc(CNC2CC2)cnc1N(C)CCc1cccs1
InChIInChI=1S/C17H23N3S/c1-13-10-14(11-18-15-5-6-15)12-19-17(13)20(2)8-7-16-4-3-9-21-16/h3-4,9-10,12,15,18H,5-8,11H2,1-2H3
InChIKeyPPRSMECUUPPEKA-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.38
Rot. Bonds7

About 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine

5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine (PubChem CID 80636888) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
PubChem CID80636888
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
SMILESCc1cc(CNC2CC2)cnc1N(C)CCc1cccs1
InChIInChI=1S/C17H23N3S/c1-13-10-14(11-18-15-5-6-15)12-19-17(13)20(2)8-7-16-4-3-9-21-16/h3-4,9-10,12,15,18H,5-8,11H2,1-2H3
InChIKeyPPRSMECUUPPEKA-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine
CID 80630395
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
CID 80631518
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N,3-dimethylpyridin-2-amine
CID 81057209
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 80637021
3-[[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
CID 80636310
N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80631053
4-[(cyclopropylamino)methyl]-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79494680
1-[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 80630791
N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60879896
N-cyclopropyl-5-[(cyclopropylamino)methyl]-3-methyl-N-propylpyridin-2-amine
CID 80630811
N-[[5-methyl-4-[[methyl(2-thiophen-2-ylethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 80719555
N-[[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 79490840

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine (CID 80636888) is 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine is Cc1cc(CNC2CC2)cnc1N(C)CCc1cccs1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine?
The InChIKey is PPRSMECUUPPEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13-10-14(11-18-15-5-6-15)12-19-17(13)20(2)8-7-16-4-3-9-21-16/h3-4,9-10,12,15,18H,5-8,11H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine?
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine has a molecular weight of 301.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine is sourced from PubChem (CID 80636888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).