N-methyl-6-(oxolan-2-ylmethoxy)hexan-3-amine

C12H25NO2 — CID 106800771

IUPACN-methyl-6-(oxolan-2-ylmethoxy)hexan-3-amine
SMILESCCC(CCCOCC1CCCO1)NC
InChIInChI=1S/C12H25NO2/c1-3-11(13-2)6-4-8-14-10-12-7-5-9-15-12/h11-13H,3-10H2,1-2H3
InChIKeyAAQGBLLSTPNTRD-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds8

About N-methyl-6-(oxolan-2-ylmethoxy)hexan-3-amine

N-methyl-6-(oxolan-2-ylmethoxy)hexan-3-amine (PubChem CID 106800771) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-methyl-6-(oxolan-2-ylmethoxy)hexan-3-amine.

Molecular Properties

Compound NameN-methyl-6-(oxolan-2-ylmethoxy)hexan-3-amine
PubChem CID106800771
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-methyl-6-(oxolan-2-ylmethoxy)hexan-3-amine
SMILESCCC(CCCOCC1CCCO1)NC
InChIInChI=1S/C12H25NO2/c1-3-11(13-2)6-4-8-14-10-12-7-5-9-15-12/h11-13H,3-10H2,1-2H3
InChIKeyAAQGBLLSTPNTRD-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
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

2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine
CID 43205736
N-[2-(oxolan-2-ylmethoxy)ethyl]butan-2-amine
CID 62572646
N-methyl-1-(oxolan-2-yl)decan-2-amine
CID 62600553
N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205697
N-ethyl-1-(oxan-2-ylmethoxy)butan-2-amine
CID 62040627
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
butyl-[4-(oxolan-2-ylmethoxy)butyl]indigane
CID 150919009
1,1-difluoro-N-[3-(oxolan-2-ylmethoxy)propyl]propan-2-amine
CID 102868081
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
2-methyl-1-(4-methylpentyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111409288
N-ethyl-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62446418
6-(oxolan-2-ylmethoxy)hexan-3-one
CID 106801896

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(oxolan-2-ylmethoxy)hexan-3-amine?
The IUPAC name of N-methyl-6-(oxolan-2-ylmethoxy)hexan-3-amine (CID 106800771) is N-methyl-6-(oxolan-2-ylmethoxy)hexan-3-amine.
What is the SMILES notation for N-methyl-6-(oxolan-2-ylmethoxy)hexan-3-amine?
The canonical SMILES for N-methyl-6-(oxolan-2-ylmethoxy)hexan-3-amine is CCC(CCCOCC1CCCO1)NC.
What is the InChIKey of N-methyl-6-(oxolan-2-ylmethoxy)hexan-3-amine?
The InChIKey is AAQGBLLSTPNTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-11(13-2)6-4-8-14-10-12-7-5-9-15-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-methyl-6-(oxolan-2-ylmethoxy)hexan-3-amine?
N-methyl-6-(oxolan-2-ylmethoxy)hexan-3-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(oxolan-2-ylmethoxy)hexan-3-amine is sourced from PubChem (CID 106800771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).