6-methoxy-N,4,6-trimethylheptan-3-amine

C11H25NO — CID 79307572

IUPAC6-methoxy-N,4,6-trimethylheptan-3-amine
SMILESCCC(NC)C(C)CC(C)(C)OC
InChIInChI=1S/C11H25NO/c1-7-10(12-5)9(2)8-11(3,4)13-6/h9-10,12H,7-8H2,1-6H3
InChIKeyGPFXMSHJYOANGA-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds6

About 6-methoxy-N,4,6-trimethylheptan-3-amine

6-methoxy-N,4,6-trimethylheptan-3-amine (PubChem CID 79307572) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 6-methoxy-N,4,6-trimethylheptan-3-amine.

Molecular Properties

Compound Name6-methoxy-N,4,6-trimethylheptan-3-amine
PubChem CID79307572
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name6-methoxy-N,4,6-trimethylheptan-3-amine
SMILESCCC(NC)C(C)CC(C)(C)OC
InChIInChI=1S/C11H25NO/c1-7-10(12-5)9(2)8-11(3,4)13-6/h9-10,12H,7-8H2,1-6H3
InChIKeyGPFXMSHJYOANGA-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,4,6-trimethylheptan-3-amine?
The IUPAC name of 6-methoxy-N,4,6-trimethylheptan-3-amine (CID 79307572) is 6-methoxy-N,4,6-trimethylheptan-3-amine.
What is the SMILES notation for 6-methoxy-N,4,6-trimethylheptan-3-amine?
The canonical SMILES for 6-methoxy-N,4,6-trimethylheptan-3-amine is CCC(NC)C(C)CC(C)(C)OC.
What is the InChIKey of 6-methoxy-N,4,6-trimethylheptan-3-amine?
The InChIKey is GPFXMSHJYOANGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-7-10(12-5)9(2)8-11(3,4)13-6/h9-10,12H,7-8H2,1-6H3.
What are the key properties of 6-methoxy-N,4,6-trimethylheptan-3-amine?
6-methoxy-N,4,6-trimethylheptan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,4,6-trimethylheptan-3-amine is sourced from PubChem (CID 79307572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).