1-(1-propan-2-ylsulfanylpropan-2-yloxy)butan-2-amine

C10H23NOS — CID 170120030

IUPAC1-(1-propan-2-ylsulfanylpropan-2-yloxy)butan-2-amine
SMILESCCC(N)COC(C)CSC(C)C
InChIInChI=1S/C10H23NOS/c1-5-10(11)6-12-9(4)7-13-8(2)3/h8-10H,5-7,11H2,1-4H3
InChIKeyNWHGRFBBVVHMKT-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.27
Rot. Bonds7

About 1-(1-propan-2-ylsulfanylpropan-2-yloxy)butan-2-amine

1-(1-propan-2-ylsulfanylpropan-2-yloxy)butan-2-amine (PubChem CID 170120030) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 1-(1-propan-2-ylsulfanylpropan-2-yloxy)butan-2-amine.

Molecular Properties

Compound Name1-(1-propan-2-ylsulfanylpropan-2-yloxy)butan-2-amine
PubChem CID170120030
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name1-(1-propan-2-ylsulfanylpropan-2-yloxy)butan-2-amine
SMILESCCC(N)COC(C)CSC(C)C
InChIInChI=1S/C10H23NOS/c1-5-10(11)6-12-9(4)7-13-8(2)3/h8-10H,5-7,11H2,1-4H3
InChIKeyNWHGRFBBVVHMKT-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylsulfanylpropan-2-yloxy)butan-2-amine?
The IUPAC name of 1-(1-propan-2-ylsulfanylpropan-2-yloxy)butan-2-amine (CID 170120030) is 1-(1-propan-2-ylsulfanylpropan-2-yloxy)butan-2-amine.
What is the SMILES notation for 1-(1-propan-2-ylsulfanylpropan-2-yloxy)butan-2-amine?
The canonical SMILES for 1-(1-propan-2-ylsulfanylpropan-2-yloxy)butan-2-amine is CCC(N)COC(C)CSC(C)C.
What is the InChIKey of 1-(1-propan-2-ylsulfanylpropan-2-yloxy)butan-2-amine?
The InChIKey is NWHGRFBBVVHMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-5-10(11)6-12-9(4)7-13-8(2)3/h8-10H,5-7,11H2,1-4H3.
What are the key properties of 1-(1-propan-2-ylsulfanylpropan-2-yloxy)butan-2-amine?
1-(1-propan-2-ylsulfanylpropan-2-yloxy)butan-2-amine has a molecular weight of 205.37 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylsulfanylpropan-2-yloxy)butan-2-amine is sourced from PubChem (CID 170120030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).