2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine

C17H23N3S — CID 79245841

IUPAC2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C17H23N3S/c1-2-8-18-14-7-9-19-15(11-14)12-20(16-5-6-16)13-17-4-3-10-21-17/h3-4,7,9-11,16H,2,5-6,8,12-13H2,1H3,(H,18,19)
InChIKeyRVEADUZQZZUJQV-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.13
Rot. Bonds8

About 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine

2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine (PubChem CID 79245841) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine
PubChem CID79245841
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C17H23N3S/c1-2-8-18-14-7-9-19-15(11-14)12-20(16-5-6-16)13-17-4-3-10-21-17/h3-4,7,9-11,16H,2,5-6,8,12-13H2,1H3,(H,18,19)
InChIKeyRVEADUZQZZUJQV-UHFFFAOYSA-N
XLogP4.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-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

2-[[cyclopropyl(ethyl)amino]methyl]-N-ethylpyridin-4-amine
CID 79244635
N-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79245474
N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79244648
4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808585
2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]-N-propylpyridin-4-amine
CID 79251024
N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62289080
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine
CID 79244278
N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62411859
4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778927
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80656846
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 114762984
N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine
CID 79250847

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine (CID 79245841) is 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine is CCCNc1ccnc(CN(Cc2cccs2)C2CC2)c1.
What is the InChIKey of 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine?
The InChIKey is RVEADUZQZZUJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-2-8-18-14-7-9-19-15(11-14)12-20(16-5-6-16)13-17-4-3-10-21-17/h3-4,7,9-11,16H,2,5-6,8,12-13H2,1H3,(H,18,19).
What are the key properties of 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine?
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine has a molecular weight of 301.46 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 79245841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).