N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine

C11H18N2S — CID 60961143

IUPACN-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCCNCc1cccc(C)n1
InChIInChI=1S/C11H18N2S/c1-10-5-3-6-11(13-10)9-12-7-4-8-14-2/h3,5-6,12H,4,7-9H2,1-2H3
InChIKeySYCSULHWAINVSJ-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.23
Rot. Bonds6

About N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine

N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine (PubChem CID 60961143) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
PubChem CID60961143
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCCNCc1cccc(C)n1
InChIInChI=1S/C11H18N2S/c1-10-5-3-6-11(13-10)9-12-7-4-8-14-2/h3,5-6,12H,4,7-9H2,1-2H3
InChIKeySYCSULHWAINVSJ-UHFFFAOYSA-N
XLogP2.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 14280569
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
3-cyclopentyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114136937
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 79267876
3-[(6-methyl-2-pyridinyl)methylamino]propanamide
CID 62323562
N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylethanamine
CID 62322147
N-[(6-methyl-2-pyridinyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163956
N-[(6-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106400795
2-[2-[(6-methyl-2-pyridinyl)methylamino]ethoxy]ethanol
CID 62323741
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109
6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol
CID 79794102
1-(2-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60961132

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine (CID 60961143) is N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine is CSCCCNCc1cccc(C)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is SYCSULHWAINVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-10-5-3-6-11(13-10)9-12-7-4-8-14-2/h3,5-6,12H,4,7-9H2,1-2H3.
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine?
N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 210.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 60961143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).