N,N-diethyl-5-(methoxymethyl)heptan-1-amine

C13H29NO — CID 123201774

IUPACN,N-diethyl-5-(methoxymethyl)heptan-1-amine
SMILESCCC(CCCCN(CC)CC)COC
InChIInChI=1S/C13H29NO/c1-5-13(12-15-4)10-8-9-11-14(6-2)7-3/h13H,5-12H2,1-4H3
InChIKeyXNYMVACBWBJRQJ-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.17
Rot. Bonds10

About N,N-diethyl-5-(methoxymethyl)heptan-1-amine

N,N-diethyl-5-(methoxymethyl)heptan-1-amine (PubChem CID 123201774) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N,N-diethyl-5-(methoxymethyl)heptan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-5-(methoxymethyl)heptan-1-amine
PubChem CID123201774
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN,N-diethyl-5-(methoxymethyl)heptan-1-amine
SMILESCCC(CCCCN(CC)CC)COC
InChIInChI=1S/C13H29NO/c1-5-13(12-15-4)10-8-9-11-14(6-2)7-3/h13H,5-12H2,1-4H3
InChIKeyXNYMVACBWBJRQJ-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.17
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(methoxymethyl)heptan-1-amine?
The IUPAC name of N,N-diethyl-5-(methoxymethyl)heptan-1-amine (CID 123201774) is N,N-diethyl-5-(methoxymethyl)heptan-1-amine.
What is the SMILES notation for N,N-diethyl-5-(methoxymethyl)heptan-1-amine?
The canonical SMILES for N,N-diethyl-5-(methoxymethyl)heptan-1-amine is CCC(CCCCN(CC)CC)COC.
What is the InChIKey of N,N-diethyl-5-(methoxymethyl)heptan-1-amine?
The InChIKey is XNYMVACBWBJRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-13(12-15-4)10-8-9-11-14(6-2)7-3/h13H,5-12H2,1-4H3.
What are the key properties of N,N-diethyl-5-(methoxymethyl)heptan-1-amine?
N,N-diethyl-5-(methoxymethyl)heptan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.17, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(methoxymethyl)heptan-1-amine is sourced from PubChem (CID 123201774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).