2-ethyl-2-methoxy-4-methylhexan-1-amine

C10H23NO — CID 66070312

IUPAC2-ethyl-2-methoxy-4-methylhexan-1-amine
SMILESCCC(C)CC(CC)(CN)OC
InChIInChI=1S/C10H23NO/c1-5-9(3)7-10(6-2,8-11)12-4/h9H,5-8,11H2,1-4H3
InChIKeyATKPLRRYWRYPHI-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.18
Rot. Bonds6

About 2-ethyl-2-methoxy-4-methylhexan-1-amine

2-ethyl-2-methoxy-4-methylhexan-1-amine (PubChem CID 66070312) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-ethyl-2-methoxy-4-methylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methoxy-4-methylhexan-1-amine
PubChem CID66070312
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-ethyl-2-methoxy-4-methylhexan-1-amine
SMILESCCC(C)CC(CC)(CN)OC
InChIInChI=1S/C10H23NO/c1-5-9(3)7-10(6-2,8-11)12-4/h9H,5-8,11H2,1-4H3
InChIKeyATKPLRRYWRYPHI-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methoxy-4-methylhexan-1-amine?
The IUPAC name of 2-ethyl-2-methoxy-4-methylhexan-1-amine (CID 66070312) is 2-ethyl-2-methoxy-4-methylhexan-1-amine.
What is the SMILES notation for 2-ethyl-2-methoxy-4-methylhexan-1-amine?
The canonical SMILES for 2-ethyl-2-methoxy-4-methylhexan-1-amine is CCC(C)CC(CC)(CN)OC.
What is the InChIKey of 2-ethyl-2-methoxy-4-methylhexan-1-amine?
The InChIKey is ATKPLRRYWRYPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-9(3)7-10(6-2,8-11)12-4/h9H,5-8,11H2,1-4H3.
What are the key properties of 2-ethyl-2-methoxy-4-methylhexan-1-amine?
2-ethyl-2-methoxy-4-methylhexan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methoxy-4-methylhexan-1-amine is sourced from PubChem (CID 66070312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).