N-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine

C16H23N3S — CID 79245474

IUPACN-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine
SMILESCCNc1ccnc(CN(Cc2cccs2)C(C)C)c1
InChIInChI=1S/C16H23N3S/c1-4-17-14-7-8-18-15(10-14)11-19(13(2)3)12-16-6-5-9-20-16/h5-10,13H,4,11-12H2,1-3H3,(H,17,18)
InChIKeyHFOCJLKJGKAPNB-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.99
Rot. Bonds7

About N-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine

N-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine (PubChem CID 79245474) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine
PubChem CID79245474
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine
SMILESCCNc1ccnc(CN(Cc2cccs2)C(C)C)c1
InChIInChI=1S/C16H23N3S/c1-4-17-14-7-8-18-15(10-14)11-19(13(2)3)12-16-6-5-9-20-16/h5-10,13H,4,11-12H2,1-3H3,(H,17,18)
InChIKeyHFOCJLKJGKAPNB-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79244648
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine
CID 79245841
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 62461456
2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62174129
2-[[2,2-difluoroethyl(methyl)amino]methyl]-N-ethylpyridin-4-amine
CID 115883847
2-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 62286889
N-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-4-amine
CID 79244322
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63883409
N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 79255691
N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258772
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61453411
N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 79259173

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine?
The IUPAC name of N-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine (CID 79245474) is N-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine.
What is the SMILES notation for N-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine?
The canonical SMILES for N-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine is CCNc1ccnc(CN(Cc2cccs2)C(C)C)c1.
What is the InChIKey of N-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine?
The InChIKey is HFOCJLKJGKAPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-4-17-14-7-8-18-15(10-14)11-19(13(2)3)12-16-6-5-9-20-16/h5-10,13H,4,11-12H2,1-3H3,(H,17,18).
What are the key properties of N-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine?
N-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine has a molecular weight of 289.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine is sourced from PubChem (CID 79245474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).