1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride

C11H14Cl2N2S — CID 163328741

IUPAC1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride
SMILESCl.Cl.c1cncc(CNCc2ccsc2)c1
InChIInChI=1S/C11H12N2S.2ClH/c1-2-10(6-12-4-1)7-13-8-11-3-5-14-9-11;;/h1-6,9,13H,7-8H2;2*1H
InChIKeyLHKTVOWNORKURY-UHFFFAOYSA-N
MW277.22 g/mol
LogP3.28
Rot. Bonds4

About 1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride

1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride (PubChem CID 163328741) has the molecular formula C11H14Cl2N2S and a molecular weight of 277.22 g/mol. Its IUPAC name is 1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride
PubChem CID163328741
Molecular FormulaC11H14Cl2N2S
Molecular Weight277.22 g/mol
Exact Mass276.03
IUPAC Name1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride
SMILESCl.Cl.c1cncc(CNCc2ccsc2)c1
InChIInChI=1S/C11H12N2S.2ClH/c1-2-10(6-12-4-1)7-13-8-11-3-5-14-9-11;;/h1-6,9,13H,7-8H2;2*1H
InChIKeyLHKTVOWNORKURY-UHFFFAOYSA-N
XLogP3.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
CID 171155059
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
N'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62555085
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 28833084
N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 17015853
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-3-ylmethanamine
CID 63305628
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine
CID 54803200
N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 21233303
N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 154879239
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride?
The IUPAC name of 1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride (CID 163328741) is 1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride.
What is the SMILES notation for 1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride?
The canonical SMILES for 1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride is Cl.Cl.c1cncc(CNCc2ccsc2)c1.
What is the InChIKey of 1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride?
The InChIKey is LHKTVOWNORKURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S.2ClH/c1-2-10(6-12-4-1)7-13-8-11-3-5-14-9-11;;/h1-6,9,13H,7-8H2;2*1H.
What are the key properties of 1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride?
1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride has a molecular weight of 277.22 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride is sourced from PubChem (CID 163328741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).