5-methoxy-3,5-dimethylheptan-3-amine

C10H23NO — CID 123345739

IUPAC5-methoxy-3,5-dimethylheptan-3-amine
SMILESCCC(C)(N)CC(C)(CC)OC
InChIInChI=1S/C10H23NO/c1-6-9(3,11)8-10(4,7-2)12-5/h6-8,11H2,1-5H3
InChIKeyLLJZIFCSHPTXAX-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.32
Rot. Bonds5

About 5-methoxy-3,5-dimethylheptan-3-amine

5-methoxy-3,5-dimethylheptan-3-amine (PubChem CID 123345739) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 5-methoxy-3,5-dimethylheptan-3-amine.

Molecular Properties

Compound Name5-methoxy-3,5-dimethylheptan-3-amine
PubChem CID123345739
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name5-methoxy-3,5-dimethylheptan-3-amine
SMILESCCC(C)(N)CC(C)(CC)OC
InChIInChI=1S/C10H23NO/c1-6-9(3,11)8-10(4,7-2)12-5/h6-8,11H2,1-5H3
InChIKeyLLJZIFCSHPTXAX-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,5-dimethylheptan-3-amine?
The IUPAC name of 5-methoxy-3,5-dimethylheptan-3-amine (CID 123345739) is 5-methoxy-3,5-dimethylheptan-3-amine.
What is the SMILES notation for 5-methoxy-3,5-dimethylheptan-3-amine?
The canonical SMILES for 5-methoxy-3,5-dimethylheptan-3-amine is CCC(C)(N)CC(C)(CC)OC.
What is the InChIKey of 5-methoxy-3,5-dimethylheptan-3-amine?
The InChIKey is LLJZIFCSHPTXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-6-9(3,11)8-10(4,7-2)12-5/h6-8,11H2,1-5H3.
What are the key properties of 5-methoxy-3,5-dimethylheptan-3-amine?
5-methoxy-3,5-dimethylheptan-3-amine has a molecular weight of 173.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,5-dimethylheptan-3-amine is sourced from PubChem (CID 123345739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).