N,2-dimethyl-1-(1,4-oxathian-2-yl)butan-1-amine

C10H21NOS — CID 79963836

IUPACN,2-dimethyl-1-(1,4-oxathian-2-yl)butan-1-amine
SMILESCCC(C)C(NC)C1CSCCO1
InChIInChI=1S/C10H21NOS/c1-4-8(2)10(11-3)9-7-13-6-5-12-9/h8-11H,4-7H2,1-3H3
InChIKeyCQGGLNCWNZTXQA-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.75
Rot. Bonds4

About N,2-dimethyl-1-(1,4-oxathian-2-yl)butan-1-amine

N,2-dimethyl-1-(1,4-oxathian-2-yl)butan-1-amine (PubChem CID 79963836) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N,2-dimethyl-1-(1,4-oxathian-2-yl)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(1,4-oxathian-2-yl)butan-1-amine
PubChem CID79963836
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN,2-dimethyl-1-(1,4-oxathian-2-yl)butan-1-amine
SMILESCCC(C)C(NC)C1CSCCO1
InChIInChI=1S/C10H21NOS/c1-4-8(2)10(11-3)9-7-13-6-5-12-9/h8-11H,4-7H2,1-3H3
InChIKeyCQGGLNCWNZTXQA-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(1,4-oxathian-2-yl)butan-1-amine?
The IUPAC name of N,2-dimethyl-1-(1,4-oxathian-2-yl)butan-1-amine (CID 79963836) is N,2-dimethyl-1-(1,4-oxathian-2-yl)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(1,4-oxathian-2-yl)butan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(1,4-oxathian-2-yl)butan-1-amine is CCC(C)C(NC)C1CSCCO1.
What is the InChIKey of N,2-dimethyl-1-(1,4-oxathian-2-yl)butan-1-amine?
The InChIKey is CQGGLNCWNZTXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-4-8(2)10(11-3)9-7-13-6-5-12-9/h8-11H,4-7H2,1-3H3.
What are the key properties of N,2-dimethyl-1-(1,4-oxathian-2-yl)butan-1-amine?
N,2-dimethyl-1-(1,4-oxathian-2-yl)butan-1-amine has a molecular weight of 203.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(1,4-oxathian-2-yl)butan-1-amine is sourced from PubChem (CID 79963836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).