4-ethyl-3-methoxyhexan-1-amine

C9H21NO — CID 71756834

IUPAC4-ethyl-3-methoxyhexan-1-amine
SMILESCCC(CC)C(CCN)OC
InChIInChI=1S/C9H21NO/c1-4-8(5-2)9(11-3)6-7-10/h8-9H,4-7,10H2,1-3H3
InChIKeyYTPZXTSSQYKMLB-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.79
Rot. Bonds6

About 4-ethyl-3-methoxyhexan-1-amine

4-ethyl-3-methoxyhexan-1-amine (PubChem CID 71756834) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 4-ethyl-3-methoxyhexan-1-amine.

Molecular Properties

Compound Name4-ethyl-3-methoxyhexan-1-amine
PubChem CID71756834
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name4-ethyl-3-methoxyhexan-1-amine
SMILESCCC(CC)C(CCN)OC
InChIInChI=1S/C9H21NO/c1-4-8(5-2)9(11-3)6-7-10/h8-9H,4-7,10H2,1-3H3
InChIKeyYTPZXTSSQYKMLB-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methoxyhexan-1-amine?
The IUPAC name of 4-ethyl-3-methoxyhexan-1-amine (CID 71756834) is 4-ethyl-3-methoxyhexan-1-amine.
What is the SMILES notation for 4-ethyl-3-methoxyhexan-1-amine?
The canonical SMILES for 4-ethyl-3-methoxyhexan-1-amine is CCC(CC)C(CCN)OC.
What is the InChIKey of 4-ethyl-3-methoxyhexan-1-amine?
The InChIKey is YTPZXTSSQYKMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-8(5-2)9(11-3)6-7-10/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 4-ethyl-3-methoxyhexan-1-amine?
4-ethyl-3-methoxyhexan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methoxyhexan-1-amine is sourced from PubChem (CID 71756834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).