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

C13H27NOS — CID 79962953

IUPACN-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine
SMILESCCNC(CCC(C)(C)C)C1CSCCO1
InChIInChI=1S/C13H27NOS/c1-5-14-11(6-7-13(2,3)4)12-10-16-9-8-15-12/h11-12,14H,5-10H2,1-4H3
InChIKeyNRRIQJDOWDDQNA-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.92
Rot. Bonds5

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

N-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine (PubChem CID 79962953) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine
PubChem CID79962953
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC NameN-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine
SMILESCCNC(CCC(C)(C)C)C1CSCCO1
InChIInChI=1S/C13H27NOS/c1-5-14-11(6-7-13(2,3)4)12-10-16-9-8-15-12/h11-12,14H,5-10H2,1-4H3
InChIKeyNRRIQJDOWDDQNA-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine
CID 82922082
N-ethyl-4,4-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-amine
CID 79665225
4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine
CID 79962761
N-ethyl-1-(4-ethylmorpholin-2-yl)-4,4-dimethylpentan-1-amine
CID 79669489
N,3-diethyl-1-(1,4-oxathian-2-yl)heptan-1-amine
CID 79962851
1-(1,4-oxathian-2-yl)propylhydrazine
CID 105249656
N-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine
CID 107050253
N-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine
CID 79962336
2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963248
[3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine
CID 105249480
N-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine
CID 114104284
[3-methyl-1-(1,4-oxathian-2-yl)pentyl]hydrazine
CID 105249722

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine?
The IUPAC name of N-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine (CID 79962953) is N-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine is CCNC(CCC(C)(C)C)C1CSCCO1.
What is the InChIKey of N-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine?
The InChIKey is NRRIQJDOWDDQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-5-14-11(6-7-13(2,3)4)12-10-16-9-8-15-12/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine?
N-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine has a molecular weight of 245.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine is sourced from PubChem (CID 79962953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).