N-cyclopropyl-6-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-3-amine

C16H21N3S — CID 83122008

IUPACN-cyclopropyl-6-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-3-amine
SMILESCNC(C)c1ccc(N(Cc2cccs2)C2CC2)cn1
InChIInChI=1S/C16H21N3S/c1-12(17-2)16-8-7-14(10-18-16)19(13-5-6-13)11-15-4-3-9-20-15/h3-4,7-10,12-13,17H,5-6,11H2,1-2H3
InChIKeyWRWZXOLAQDQCOJ-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.59
Rot. Bonds6

About N-cyclopropyl-6-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-3-amine

N-cyclopropyl-6-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-3-amine (PubChem CID 83122008) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-cyclopropyl-6-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-3-amine
PubChem CID83122008
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-cyclopropyl-6-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-3-amine
SMILESCNC(C)c1ccc(N(Cc2cccs2)C2CC2)cn1
InChIInChI=1S/C16H21N3S/c1-12(17-2)16-8-7-14(10-18-16)19(13-5-6-13)11-15-4-3-9-20-15/h3-4,7-10,12-13,17H,5-6,11H2,1-2H3
InChIKeyWRWZXOLAQDQCOJ-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
CID 83127076
N-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline
CID 61449002
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808866
N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 61449230
N-cyclopropyl-6-[1-(ethylamino)ethyl]-N-propylpyridin-3-amine
CID 83122891
(1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938524
N-methyl-6-[1-(methylamino)ethyl]-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 83122660
5-bromo-4-N-cyclopropyl-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80809068
N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106959907
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 62936059
N-cyclopropyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105073669
N-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81247478

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-3-amine?
The IUPAC name of N-cyclopropyl-6-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-3-amine (CID 83122008) is N-cyclopropyl-6-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-3-amine.
What is the SMILES notation for N-cyclopropyl-6-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-3-amine?
The canonical SMILES for N-cyclopropyl-6-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-3-amine is CNC(C)c1ccc(N(Cc2cccs2)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-6-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-3-amine?
The InChIKey is WRWZXOLAQDQCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-12(17-2)16-8-7-14(10-18-16)19(13-5-6-13)11-15-4-3-9-20-15/h3-4,7-10,12-13,17H,5-6,11H2,1-2H3.
What are the key properties of N-cyclopropyl-6-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-3-amine?
N-cyclopropyl-6-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-3-amine has a molecular weight of 287.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 83122008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).