3-hexoxy-N-methyl-N-propylpropan-1-amine

C13H29NO — CID 155459820

IUPAC3-hexoxy-N-methyl-N-propylpropan-1-amine
SMILESCCCCCCOCCCN(C)CCC
InChIInChI=1S/C13H29NO/c1-4-6-7-8-12-15-13-9-11-14(3)10-5-2/h4-13H2,1-3H3
InChIKeyMPCCOIBHXZZOMD-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.32
Rot. Bonds11

About 3-hexoxy-N-methyl-N-propylpropan-1-amine

3-hexoxy-N-methyl-N-propylpropan-1-amine (PubChem CID 155459820) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-hexoxy-N-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-hexoxy-N-methyl-N-propylpropan-1-amine
PubChem CID155459820
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name3-hexoxy-N-methyl-N-propylpropan-1-amine
SMILESCCCCCCOCCCN(C)CCC
InChIInChI=1S/C13H29NO/c1-4-6-7-8-12-15-13-9-11-14(3)10-5-2/h4-13H2,1-3H3
InChIKeyMPCCOIBHXZZOMD-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-propyldecan-1-amine
CID 13122225
3-(2-aminoethoxy)-N-methyl-N-propylpropan-1-amine
CID 171838408
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
formaldehyde;N-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine
CID 161166009
2-icos-11-enoxy-N-(2-icos-11-enoxyethyl)-N-methylethanamine
CID 123526792

Frequently Asked Questions

What is the IUPAC name of 3-hexoxy-N-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-hexoxy-N-methyl-N-propylpropan-1-amine (CID 155459820) is 3-hexoxy-N-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-hexoxy-N-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-hexoxy-N-methyl-N-propylpropan-1-amine is CCCCCCOCCCN(C)CCC.
What is the InChIKey of 3-hexoxy-N-methyl-N-propylpropan-1-amine?
The InChIKey is MPCCOIBHXZZOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-4-6-7-8-12-15-13-9-11-14(3)10-5-2/h4-13H2,1-3H3.
What are the key properties of 3-hexoxy-N-methyl-N-propylpropan-1-amine?
3-hexoxy-N-methyl-N-propylpropan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.32, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxy-N-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 155459820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).