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

C11H23NOS — CID 79962336

IUPACN-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine
SMILESCCCCCC(NC)C1CSCCO1
InChIInChI=1S/C11H23NOS/c1-3-4-5-6-10(12-2)11-9-14-8-7-13-11/h10-12H,3-9H2,1-2H3
InChIKeyXPWXLMFBHZQWQW-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.29
Rot. Bonds6

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

N-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine (PubChem CID 79962336) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine
PubChem CID79962336
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine
SMILESCCCCCC(NC)C1CSCCO1
InChIInChI=1S/C11H23NOS/c1-3-4-5-6-10(12-2)11-9-14-8-7-13-11/h10-12H,3-9H2,1-2H3
InChIKeyXPWXLMFBHZQWQW-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,4-oxathian-2-yl)heptylhydrazine
CID 105249713
3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine
CID 79963234
N-methyl-1-(oxolan-2-yl)hexan-1-amine
CID 65331605
1-(1,4-dioxan-2-yl)-N-methylheptan-1-amine
CID 65352208
N,3-diethyl-1-(1,4-oxathian-2-yl)heptan-1-amine
CID 79962851
1-(1,4-oxathian-2-yl)propylhydrazine
CID 105249656
1-(1,4-dithian-2-yl)-N-methylnonan-1-amine
CID 79965382
1-(4-ethylmorpholin-2-yl)-N-methyldecan-1-amine
CID 79666534
4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine
CID 79962761
N,2-dimethyl-1-(1,4-oxathian-2-yl)butan-1-amine
CID 79963836
N-methyl-1-(4-methylmorpholin-2-yl)pentan-1-amine
CID 79093239
N-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine
CID 79962953

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine?
The IUPAC name of N-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine (CID 79962336) is N-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine.
What is the SMILES notation for N-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine?
The canonical SMILES for N-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine is CCCCCC(NC)C1CSCCO1.
What is the InChIKey of N-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine?
The InChIKey is XPWXLMFBHZQWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-4-5-6-10(12-2)11-9-14-8-7-13-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine?
N-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine is sourced from PubChem (CID 79962336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).