N-[[6-(2-methoxyethylsulfanyl)-3-pyridinyl]methyl]cyclopropanamine

C12H18N2OS — CID 80640323

IUPACN-[[6-(2-methoxyethylsulfanyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCOCCSc1ccc(CNC2CC2)cn1
InChIInChI=1S/C12H18N2OS/c1-15-6-7-16-12-5-2-10(9-14-12)8-13-11-3-4-11/h2,5,9,11,13H,3-4,6-8H2,1H3
InChIKeyDGLDCSYHFIUECG-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.07
Rot. Bonds7

About N-[[6-(2-methoxyethylsulfanyl)-3-pyridinyl]methyl]cyclopropanamine

N-[[6-(2-methoxyethylsulfanyl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 80640323) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-[[6-(2-methoxyethylsulfanyl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(2-methoxyethylsulfanyl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID80640323
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-[[6-(2-methoxyethylsulfanyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCOCCSc1ccc(CNC2CC2)cn1
InChIInChI=1S/C12H18N2OS/c1-15-6-7-16-12-5-2-10(9-14-12)8-13-11-3-4-11/h2,5,9,11,13H,3-4,6-8H2,1H3
InChIKeyDGLDCSYHFIUECG-UHFFFAOYSA-N
XLogP2.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 63008122
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
N-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine
CID 80640577
N-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80651024
N-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63807475
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylcycloheptan-1-amine
CID 65081064
N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
CID 53385515
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290349
N-[[3-bromo-4-(3-methoxypropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 114063131
N-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 66226369
N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine
CID 155399172
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112662259

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methoxyethylsulfanyl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(2-methoxyethylsulfanyl)-3-pyridinyl]methyl]cyclopropanamine (CID 80640323) is N-[[6-(2-methoxyethylsulfanyl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(2-methoxyethylsulfanyl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(2-methoxyethylsulfanyl)-3-pyridinyl]methyl]cyclopropanamine is COCCSc1ccc(CNC2CC2)cn1.
What is the InChIKey of N-[[6-(2-methoxyethylsulfanyl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is DGLDCSYHFIUECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-15-6-7-16-12-5-2-10(9-14-12)8-13-11-3-4-11/h2,5,9,11,13H,3-4,6-8H2,1H3.
What are the key properties of N-[[6-(2-methoxyethylsulfanyl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-(2-methoxyethylsulfanyl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 238.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methoxyethylsulfanyl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 80640323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).