2-ethyl-3-methoxy-4-methylpentan-1-amine

C9H21NO — CID 88936073

IUPAC2-ethyl-3-methoxy-4-methylpentan-1-amine
SMILESCCC(CN)C(OC)C(C)C
InChIInChI=1S/C9H21NO/c1-5-8(6-10)9(11-4)7(2)3/h7-9H,5-6,10H2,1-4H3
InChIKeyPZKXLWSWAGSXAH-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.64
Rot. Bonds5

About 2-ethyl-3-methoxy-4-methylpentan-1-amine

2-ethyl-3-methoxy-4-methylpentan-1-amine (PubChem CID 88936073) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-ethyl-3-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-ethyl-3-methoxy-4-methylpentan-1-amine
PubChem CID88936073
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-ethyl-3-methoxy-4-methylpentan-1-amine
SMILESCCC(CN)C(OC)C(C)C
InChIInChI=1S/C9H21NO/c1-5-8(6-10)9(11-4)7(2)3/h7-9H,5-6,10H2,1-4H3
InChIKeyPZKXLWSWAGSXAH-UHFFFAOYSA-N
XLogP1.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methoxy-4-methylpentan-1-amine?
The IUPAC name of 2-ethyl-3-methoxy-4-methylpentan-1-amine (CID 88936073) is 2-ethyl-3-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 2-ethyl-3-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 2-ethyl-3-methoxy-4-methylpentan-1-amine is CCC(CN)C(OC)C(C)C.
What is the InChIKey of 2-ethyl-3-methoxy-4-methylpentan-1-amine?
The InChIKey is PZKXLWSWAGSXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-8(6-10)9(11-4)7(2)3/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 2-ethyl-3-methoxy-4-methylpentan-1-amine?
2-ethyl-3-methoxy-4-methylpentan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 88936073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).