2-methyl-3-methylsulfanyl-N-propylpropan-1-amine

C8H19NS — CID 63981278

IUPAC2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
SMILESCCCNCC(C)CSC
InChIInChI=1S/C8H19NS/c1-4-5-9-6-8(2)7-10-3/h8-9H,4-7H2,1-3H3
InChIKeyJXYPRYRODYGIBB-UHFFFAOYSA-N
MW161.31 g/mol
LogP1.99
Rot. Bonds6

About 2-methyl-3-methylsulfanyl-N-propylpropan-1-amine

2-methyl-3-methylsulfanyl-N-propylpropan-1-amine (PubChem CID 63981278) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
PubChem CID63981278
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
SMILESCCCNCC(C)CSC
InChIInChI=1S/C8H19NS/c1-4-5-9-6-8(2)7-10-3/h8-9H,4-7H2,1-3H3
InChIKeyJXYPRYRODYGIBB-UHFFFAOYSA-N
XLogP1.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-3-methylsulfanylpropyl)nonan-1-amine
CID 63964508
N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine
CID 63964733
2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine
CID 106723768
N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 65175780
2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 63965623
2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol
CID 79356294
2-methylsulfanyl-N-propylpropan-1-amine
CID 62581187
N,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine
CID 112663777
5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol
CID 63967364
6-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol
CID 107703420
N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide
CID 63967363
1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea
CID 115624328

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanyl-N-propylpropan-1-amine?
The IUPAC name of 2-methyl-3-methylsulfanyl-N-propylpropan-1-amine (CID 63981278) is 2-methyl-3-methylsulfanyl-N-propylpropan-1-amine.
What is the SMILES notation for 2-methyl-3-methylsulfanyl-N-propylpropan-1-amine?
The canonical SMILES for 2-methyl-3-methylsulfanyl-N-propylpropan-1-amine is CCCNCC(C)CSC.
What is the InChIKey of 2-methyl-3-methylsulfanyl-N-propylpropan-1-amine?
The InChIKey is JXYPRYRODYGIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-4-5-9-6-8(2)7-10-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-methyl-3-methylsulfanyl-N-propylpropan-1-amine?
2-methyl-3-methylsulfanyl-N-propylpropan-1-amine has a molecular weight of 161.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanyl-N-propylpropan-1-amine is sourced from PubChem (CID 63981278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).