N-methyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine

C8H19NS — CID 22975534

IUPACN-methyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine
SMILESCSCCCN(C)C(C)C
InChIInChI=1S/C8H19NS/c1-8(2)9(3)6-5-7-10-4/h8H,5-7H2,1-4H3
InChIKeyCRAIMUXHXCKMNN-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.08
Rot. Bonds5

About N-methyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine

N-methyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine (PubChem CID 22975534) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N-methyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine
PubChem CID22975534
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN-methyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine
SMILESCSCCCN(C)C(C)C
InChIInChI=1S/C8H19NS/c1-8(2)9(3)6-5-7-10-4/h8H,5-7H2,1-4H3
InChIKeyCRAIMUXHXCKMNN-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-methyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine (CID 22975534) is N-methyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine is CSCCCN(C)C(C)C.
What is the InChIKey of N-methyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine?
The InChIKey is CRAIMUXHXCKMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-8(2)9(3)6-5-7-10-4/h8H,5-7H2,1-4H3.
What are the key properties of N-methyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine?
N-methyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine has a molecular weight of 161.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfanyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 22975534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).