N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine

C11H16N2S — CID 107267578

IUPACN-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine
SMILESCSC1(CNCc2ccncc2)CC1
InChIInChI=1S/C11H16N2S/c1-14-11(4-5-11)9-13-8-10-2-6-12-7-3-10/h2-3,6-7,13H,4-5,8-9H2,1H3
InChIKeyBEKLDJSEOPIPHK-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.07
Rot. Bonds5

About N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine

N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine (PubChem CID 107267578) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine
PubChem CID107267578
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine
SMILESCSC1(CNCc2ccncc2)CC1
InChIInChI=1S/C11H16N2S/c1-14-11(4-5-11)9-13-8-10-2-6-12-7-3-10/h2-3,6-7,13H,4-5,8-9H2,1H3
InChIKeyBEKLDJSEOPIPHK-UHFFFAOYSA-N
XLogP2.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114115868
1-[4-(methoxymethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107267089
N-[(1-methylsulfanylcyclopropyl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 107267440
4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile
CID 114116374
N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine
CID 103991879
1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267608
1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266974
1-(3-fluoro-4-methylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267370
1-(3-bromo-4-methylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267553
1-(2-ethylpyrazol-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267292
N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 107267189
N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine
CID 107266129

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine (CID 107267578) is N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine is CSC1(CNCc2ccncc2)CC1.
What is the InChIKey of N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is BEKLDJSEOPIPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-14-11(4-5-11)9-13-8-10-2-6-12-7-3-10/h2-3,6-7,13H,4-5,8-9H2,1H3.
What are the key properties of N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine?
N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 208.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 107267578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).