3-methyl-2-propan-2-ylbutan-1-amine;sulfur monoxide

C8H19NOS — CID 87728536

IUPAC3-methyl-2-propan-2-ylbutan-1-amine;sulfur monoxide
SMILESCC(C)C(CN)C(C)C.O=S
InChIInChI=1S/C8H19N.OS/c1-6(2)8(5-9)7(3)4;1-2/h6-8H,5,9H2,1-4H3;
InChIKeySBKGWZSFWWNVAF-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.54
Rot. Bonds3

About 3-methyl-2-propan-2-ylbutan-1-amine;sulfur monoxide

3-methyl-2-propan-2-ylbutan-1-amine;sulfur monoxide (PubChem CID 87728536) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 3-methyl-2-propan-2-ylbutan-1-amine;sulfur monoxide.

Molecular Properties

Compound Name3-methyl-2-propan-2-ylbutan-1-amine;sulfur monoxide
PubChem CID87728536
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name3-methyl-2-propan-2-ylbutan-1-amine;sulfur monoxide
SMILESCC(C)C(CN)C(C)C.O=S
InChIInChI=1S/C8H19N.OS/c1-6(2)8(5-9)7(3)4;1-2/h6-8H,5,9H2,1-4H3;
InChIKeySBKGWZSFWWNVAF-UHFFFAOYSA-N
XLogP1.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-ylbutan-1-amine;sulfur monoxide?
The IUPAC name of 3-methyl-2-propan-2-ylbutan-1-amine;sulfur monoxide (CID 87728536) is 3-methyl-2-propan-2-ylbutan-1-amine;sulfur monoxide.
What is the SMILES notation for 3-methyl-2-propan-2-ylbutan-1-amine;sulfur monoxide?
The canonical SMILES for 3-methyl-2-propan-2-ylbutan-1-amine;sulfur monoxide is CC(C)C(CN)C(C)C.O=S.
What is the InChIKey of 3-methyl-2-propan-2-ylbutan-1-amine;sulfur monoxide?
The InChIKey is SBKGWZSFWWNVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.OS/c1-6(2)8(5-9)7(3)4;1-2/h6-8H,5,9H2,1-4H3;.
What are the key properties of 3-methyl-2-propan-2-ylbutan-1-amine;sulfur monoxide?
3-methyl-2-propan-2-ylbutan-1-amine;sulfur monoxide has a molecular weight of 177.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-ylbutan-1-amine;sulfur monoxide is sourced from PubChem (CID 87728536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).