3-ethyl-3-methoxy-N-methylpentan-1-amine

C9H21NO — CID 145373211

IUPAC3-ethyl-3-methoxy-N-methylpentan-1-amine
SMILESCCC(CC)(CCNC)OC
InChIInChI=1S/C9H21NO/c1-5-9(6-2,11-4)7-8-10-3/h10H,5-8H2,1-4H3
InChIKeyDHDXFFJNGASDIV-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.80
Rot. Bonds6

About 3-ethyl-3-methoxy-N-methylpentan-1-amine

3-ethyl-3-methoxy-N-methylpentan-1-amine (PubChem CID 145373211) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-ethyl-3-methoxy-N-methylpentan-1-amine.

Molecular Properties

Compound Name3-ethyl-3-methoxy-N-methylpentan-1-amine
PubChem CID145373211
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-ethyl-3-methoxy-N-methylpentan-1-amine
SMILESCCC(CC)(CCNC)OC
InChIInChI=1S/C9H21NO/c1-5-9(6-2,11-4)7-8-10-3/h10H,5-8H2,1-4H3
InChIKeyDHDXFFJNGASDIV-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxy-N-methylpentan-1-amine?
The IUPAC name of 3-ethyl-3-methoxy-N-methylpentan-1-amine (CID 145373211) is 3-ethyl-3-methoxy-N-methylpentan-1-amine.
What is the SMILES notation for 3-ethyl-3-methoxy-N-methylpentan-1-amine?
The canonical SMILES for 3-ethyl-3-methoxy-N-methylpentan-1-amine is CCC(CC)(CCNC)OC.
What is the InChIKey of 3-ethyl-3-methoxy-N-methylpentan-1-amine?
The InChIKey is DHDXFFJNGASDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-9(6-2,11-4)7-8-10-3/h10H,5-8H2,1-4H3.
What are the key properties of 3-ethyl-3-methoxy-N-methylpentan-1-amine?
3-ethyl-3-methoxy-N-methylpentan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxy-N-methylpentan-1-amine is sourced from PubChem (CID 145373211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).