4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine

C13H27NOS — CID 79962761

IUPAC4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)C1CSCCO1
InChIInChI=1S/C13H27NOS/c1-4-7-14-12(6-5-11(2)3)13-10-16-9-8-15-13/h11-14H,4-10H2,1-3H3
InChIKeyIGLAMBCQMRCBGS-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.92
Rot. Bonds7

About 4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine

4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine (PubChem CID 79962761) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine
PubChem CID79962761
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)C1CSCCO1
InChIInChI=1S/C13H27NOS/c1-4-7-14-12(6-5-11(2)3)13-10-16-9-8-15-13/h11-14H,4-10H2,1-3H3
InChIKeyIGLAMBCQMRCBGS-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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Related Compounds

N-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine
CID 79962953
3-(1-methylpyrazol-4-yl)-1-(1,4-oxathian-2-yl)-N-propylpropan-1-amine
CID 103011425
[3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine
CID 105249480
N-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
CID 83182561
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
CID 79963875
N-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine
CID 79962336
N-[2-(1-methylpyrazol-4-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
CID 79962360
1-(1,4-oxathian-2-yl)propylhydrazine
CID 105249656
4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 115834351
1-(1,4-oxathian-2-yl)heptylhydrazine
CID 105249713
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
CID 79963770
N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine
CID 82922082

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine (CID 79962761) is 4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine is CCCNC(CCC(C)C)C1CSCCO1.
What is the InChIKey of 4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine?
The InChIKey is IGLAMBCQMRCBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-4-7-14-12(6-5-11(2)3)13-10-16-9-8-15-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine?
4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-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 4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 79962761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).