N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine

C9H18N4S — CID 114687560

IUPACN-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(CSC)NC
InChIInChI=1S/C9H18N4S/c1-4-5-13-9(6-11-12-13)8(10-2)7-14-3/h6,8,10H,4-5,7H2,1-3H3
InChIKeyHYPKUNJJZIOFPL-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.31
Rot. Bonds6

About N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine

N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine (PubChem CID 114687560) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
PubChem CID114687560
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC NameN-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(CSC)NC
InChIInChI=1S/C9H18N4S/c1-4-5-13-9(6-11-12-13)8(10-2)7-14-3/h6,8,10H,4-5,7H2,1-3H3
InChIKeyHYPKUNJJZIOFPL-UHFFFAOYSA-N
XLogP1.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182268
N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 105038662
2-(3-chlorophenyl)sulfanyl-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114688232
2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687105
2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038647
N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687384
3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182293
2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038787
2-(2,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687846
N-ethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 114688493
N-methyl-1-(4-methylthiophen-3-yl)-1-(3-propyltriazol-4-yl)methanamine
CID 114688675
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine?
The IUPAC name of N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine (CID 114687560) is N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine is CCCn1nncc1C(CSC)NC.
What is the InChIKey of N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine?
The InChIKey is HYPKUNJJZIOFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-4-5-13-9(6-11-12-13)8(10-2)7-14-3/h6,8,10H,4-5,7H2,1-3H3.
What are the key properties of N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine?
N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine has a molecular weight of 214.34 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114687560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).