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

C15H31NOS — CID 79962851

IUPACN,3-diethyl-1-(1,4-oxathian-2-yl)heptan-1-amine
SMILESCCCCC(CC)CC(NCC)C1CSCCO1
InChIInChI=1S/C15H31NOS/c1-4-7-8-13(5-2)11-14(16-6-3)15-12-18-10-9-17-15/h13-16H,4-12H2,1-3H3
InChIKeyBTVLRFKFQIHZGU-UHFFFAOYSA-N
MW273.49 g/mol
LogP3.70
Rot. Bonds9

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

N,3-diethyl-1-(1,4-oxathian-2-yl)heptan-1-amine (PubChem CID 79962851) has the molecular formula C15H31NOS and a molecular weight of 273.49 g/mol. Its IUPAC name is N,3-diethyl-1-(1,4-oxathian-2-yl)heptan-1-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(1,4-oxathian-2-yl)heptan-1-amine
PubChem CID79962851
Molecular FormulaC15H31NOS
Molecular Weight273.49 g/mol
Exact Mass273.21
IUPAC NameN,3-diethyl-1-(1,4-oxathian-2-yl)heptan-1-amine
SMILESCCCCC(CC)CC(NCC)C1CSCCO1
InChIInChI=1S/C15H31NOS/c1-4-7-8-13(5-2)11-14(16-6-3)15-12-18-10-9-17-15/h13-16H,4-12H2,1-3H3
InChIKeyBTVLRFKFQIHZGU-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 53.70
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
3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine
CID 79963234
3-ethyl-1-(1,4-oxathian-2-yl)heptan-1-ol
CID 79963099
N,3-diethyl-1-(4-methylthiomorpholin-3-yl)heptan-1-amine
CID 106445246
N-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine
CID 79962953
N-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine
CID 79962336
1-(1,4-oxathian-2-yl)heptylhydrazine
CID 105249713
1-cyclobutyl-N,3-diethylheptan-1-amine
CID 64987044
1-(1,4-oxathian-2-yl)propylhydrazine
CID 105249656
4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine
CID 79962761
N,3-diethyl-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-amine
CID 82923183
[3-methyl-1-(1,4-oxathian-2-yl)pentyl]hydrazine
CID 105249722

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(1,4-oxathian-2-yl)heptan-1-amine?
The IUPAC name of N,3-diethyl-1-(1,4-oxathian-2-yl)heptan-1-amine (CID 79962851) is N,3-diethyl-1-(1,4-oxathian-2-yl)heptan-1-amine.
What is the SMILES notation for N,3-diethyl-1-(1,4-oxathian-2-yl)heptan-1-amine?
The canonical SMILES for N,3-diethyl-1-(1,4-oxathian-2-yl)heptan-1-amine is CCCCC(CC)CC(NCC)C1CSCCO1.
What is the InChIKey of N,3-diethyl-1-(1,4-oxathian-2-yl)heptan-1-amine?
The InChIKey is BTVLRFKFQIHZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NOS/c1-4-7-8-13(5-2)11-14(16-6-3)15-12-18-10-9-17-15/h13-16H,4-12H2,1-3H3.
What are the key properties of N,3-diethyl-1-(1,4-oxathian-2-yl)heptan-1-amine?
N,3-diethyl-1-(1,4-oxathian-2-yl)heptan-1-amine has a molecular weight of 273.49 g/mol, XLogP of 3.70, 9 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)heptan-1-amine is sourced from PubChem (CID 79962851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).