N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine

C13H27NOS — CID 82922082

IUPACN,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine
SMILESCCNC(CC(CC)CC)C1CSCCO1
InChIInChI=1S/C13H27NOS/c1-4-11(5-2)9-12(14-6-3)13-10-16-8-7-15-13/h11-14H,4-10H2,1-3H3
InChIKeyHODVPYCFCCBFJW-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.92
Rot. Bonds7

About N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine

N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine (PubChem CID 82922082) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine
PubChem CID82922082
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC NameN,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine
SMILESCCNC(CC(CC)CC)C1CSCCO1
InChIInChI=1S/C13H27NOS/c1-4-11(5-2)9-12(14-6-3)13-10-16-8-7-15-13/h11-14H,4-10H2,1-3H3
InChIKeyHODVPYCFCCBFJW-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine?
The IUPAC name of N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine (CID 82922082) is N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine.
What is the SMILES notation for N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine?
The canonical SMILES for N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine is CCNC(CC(CC)CC)C1CSCCO1.
What is the InChIKey of N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine?
The InChIKey is HODVPYCFCCBFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-4-11(5-2)9-12(14-6-3)13-10-16-8-7-15-13/h11-14H,4-10H2,1-3H3.
What are the key properties of N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine?
N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine has a molecular weight of 245.43 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine is sourced from PubChem (CID 82922082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).