3-methyl-4-(3-methylbutan-2-ylsulfanyl)-N-(2-methylpropyl)butan-2-amine

C14H31NS — CID 123917638

IUPAC3-methyl-4-(3-methylbutan-2-ylsulfanyl)-N-(2-methylpropyl)butan-2-amine
SMILESCC(C)CNC(C)C(C)CSC(C)C(C)C
InChIInChI=1S/C14H31NS/c1-10(2)8-15-13(6)12(5)9-16-14(7)11(3)4/h10-15H,8-9H2,1-7H3
InChIKeyQZUZQHJLNHNJQC-UHFFFAOYSA-N
MW245.48 g/mol
LogP4.03
Rot. Bonds8

About 3-methyl-4-(3-methylbutan-2-ylsulfanyl)-N-(2-methylpropyl)butan-2-amine

3-methyl-4-(3-methylbutan-2-ylsulfanyl)-N-(2-methylpropyl)butan-2-amine (PubChem CID 123917638) has the molecular formula C14H31NS and a molecular weight of 245.48 g/mol. Its IUPAC name is 3-methyl-4-(3-methylbutan-2-ylsulfanyl)-N-(2-methylpropyl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-4-(3-methylbutan-2-ylsulfanyl)-N-(2-methylpropyl)butan-2-amine
PubChem CID123917638
Molecular FormulaC14H31NS
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC Name3-methyl-4-(3-methylbutan-2-ylsulfanyl)-N-(2-methylpropyl)butan-2-amine
SMILESCC(C)CNC(C)C(C)CSC(C)C(C)C
InChIInChI=1S/C14H31NS/c1-10(2)8-15-13(6)12(5)9-16-14(7)11(3)4/h10-15H,8-9H2,1-7H3
InChIKeyQZUZQHJLNHNJQC-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylbutan-2-ylsulfanyl)-N-(2-methylpropyl)butan-2-amine?
The IUPAC name of 3-methyl-4-(3-methylbutan-2-ylsulfanyl)-N-(2-methylpropyl)butan-2-amine (CID 123917638) is 3-methyl-4-(3-methylbutan-2-ylsulfanyl)-N-(2-methylpropyl)butan-2-amine.
What is the SMILES notation for 3-methyl-4-(3-methylbutan-2-ylsulfanyl)-N-(2-methylpropyl)butan-2-amine?
The canonical SMILES for 3-methyl-4-(3-methylbutan-2-ylsulfanyl)-N-(2-methylpropyl)butan-2-amine is CC(C)CNC(C)C(C)CSC(C)C(C)C.
What is the InChIKey of 3-methyl-4-(3-methylbutan-2-ylsulfanyl)-N-(2-methylpropyl)butan-2-amine?
The InChIKey is QZUZQHJLNHNJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NS/c1-10(2)8-15-13(6)12(5)9-16-14(7)11(3)4/h10-15H,8-9H2,1-7H3.
What are the key properties of 3-methyl-4-(3-methylbutan-2-ylsulfanyl)-N-(2-methylpropyl)butan-2-amine?
3-methyl-4-(3-methylbutan-2-ylsulfanyl)-N-(2-methylpropyl)butan-2-amine has a molecular weight of 245.48 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylbutan-2-ylsulfanyl)-N-(2-methylpropyl)butan-2-amine is sourced from PubChem (CID 123917638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).