N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine

C17H23N3S — CID 80631053

IUPACN-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCCNCc1cnc(N(Cc2cccs2)C2CC2)c(C)c1
InChIInChI=1S/C17H23N3S/c1-3-18-10-14-9-13(2)17(19-11-14)20(15-6-7-15)12-16-5-4-8-21-16/h4-5,8-9,11,15,18H,3,6-7,10,12H2,1-2H3
InChIKeyMFPVDGHZDVEZME-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.73
Rot. Bonds7

About N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine

N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 80631053) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID80631053
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCCNCc1cnc(N(Cc2cccs2)C2CC2)c(C)c1
InChIInChI=1S/C17H23N3S/c1-3-18-10-14-9-13(2)17(19-11-14)20(15-6-7-15)12-16-5-4-8-21-16/h4-5,8-9,11,15,18H,3,6-7,10,12H2,1-2H3
InChIKeyMFPVDGHZDVEZME-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde
CID 80636982
N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 61449230
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808866
N-cyclopentyl-5-(ethylaminomethyl)-3-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 80638803
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 80636888
N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62289080
5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 113388061
5-(ethylaminomethyl)-N-(1-ethylpiperidin-4-yl)-N,3-dimethylpyridin-2-amine
CID 80639174
3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114836834
[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
CID 61449696
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62411511
5-bromo-4-N-cyclopropyl-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80809068

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 80631053) is N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine is CCNCc1cnc(N(Cc2cccs2)C2CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is MFPVDGHZDVEZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-3-18-10-14-9-13(2)17(19-11-14)20(15-6-7-15)12-16-5-4-8-21-16/h4-5,8-9,11,15,18H,3,6-7,10,12H2,1-2H3.
What are the key properties of N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 301.46 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 80631053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).