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

C9H21NO — CID 91026539

IUPACN-ethyl-3-methoxy-N-methylpentan-1-amine
SMILESCCC(CCN(C)CC)OC
InChIInChI=1S/C9H21NO/c1-5-9(11-4)7-8-10(3)6-2/h9H,5-8H2,1-4H3
InChIKeyOGGXQJORNLKAQB-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.75
Rot. Bonds6

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

N-ethyl-3-methoxy-N-methylpentan-1-amine (PubChem CID 91026539) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-ethyl-3-methoxy-N-methylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-N-methylpentan-1-amine
PubChem CID91026539
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-ethyl-3-methoxy-N-methylpentan-1-amine
SMILESCCC(CCN(C)CC)OC
InChIInChI=1S/C9H21NO/c1-5-9(11-4)7-8-10(3)6-2/h9H,5-8H2,1-4H3
InChIKeyOGGXQJORNLKAQB-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-N-methylpentan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-N-methylpentan-1-amine (CID 91026539) is N-ethyl-3-methoxy-N-methylpentan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-N-methylpentan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-N-methylpentan-1-amine is CCC(CCN(C)CC)OC.
What is the InChIKey of N-ethyl-3-methoxy-N-methylpentan-1-amine?
The InChIKey is OGGXQJORNLKAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-9(11-4)7-8-10(3)6-2/h9H,5-8H2,1-4H3.
What are the key properties of N-ethyl-3-methoxy-N-methylpentan-1-amine?
N-ethyl-3-methoxy-N-methylpentan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-N-methylpentan-1-amine is sourced from PubChem (CID 91026539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).