N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)ethanamine

C14H19N3S — CID 62895005

IUPACN-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCN(Cc1cccs1)Cc1cccnc1CN
InChIInChI=1S/C14H19N3S/c1-2-17(11-13-6-4-8-18-13)10-12-5-3-7-16-14(12)9-15/h3-8H,2,9-11,15H2,1H3
InChIKeyVGGCRHIUXQHHHU-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.62
Rot. Bonds6

About N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)ethanamine

N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 62895005) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID62895005
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCN(Cc1cccs1)Cc1cccnc1CN
InChIInChI=1S/C14H19N3S/c1-2-17(11-13-6-4-8-18-13)10-12-5-3-7-16-14(12)9-15/h3-8H,2,9-11,15H2,1H3
InChIKeyVGGCRHIUXQHHHU-UHFFFAOYSA-N
XLogP2.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43528549
[3-[(dimethylamino)methyl]-2-pyridinyl]methanamine
CID 62893638
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62894833
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61437900
3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114057374
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine
CID 62208946
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982
2-[4-(aminomethyl)phenoxy]-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
CID 61439221
4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484257
2-[[2-(aminomethyl)-3-pyridinyl]methyl-methylamino]-N,N-diethylacetamide
CID 62893303
N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079435

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)ethanamine (CID 62895005) is N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)ethanamine is CCN(Cc1cccs1)Cc1cccnc1CN.
What is the InChIKey of N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is VGGCRHIUXQHHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-2-17(11-13-6-4-8-18-13)10-12-5-3-7-16-14(12)9-15/h3-8H,2,9-11,15H2,1H3.
What are the key properties of N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)ethanamine?
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 261.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 62895005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).