1,6-dimethoxy-6-methylheptan-2-amine

C10H23NO2 — CID 103034591

IUPAC1,6-dimethoxy-6-methylheptan-2-amine
SMILESCOCC(N)CCCC(C)(C)OC
InChIInChI=1S/C10H23NO2/c1-10(2,13-4)7-5-6-9(11)8-12-3/h9H,5-8,11H2,1-4H3
InChIKeyFDQVGDZGRSGYPZ-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.56
Rot. Bonds7

About 1,6-dimethoxy-6-methylheptan-2-amine

1,6-dimethoxy-6-methylheptan-2-amine (PubChem CID 103034591) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1,6-dimethoxy-6-methylheptan-2-amine.

Molecular Properties

Compound Name1,6-dimethoxy-6-methylheptan-2-amine
PubChem CID103034591
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1,6-dimethoxy-6-methylheptan-2-amine
SMILESCOCC(N)CCCC(C)(C)OC
InChIInChI=1S/C10H23NO2/c1-10(2,13-4)7-5-6-9(11)8-12-3/h9H,5-8,11H2,1-4H3
InChIKeyFDQVGDZGRSGYPZ-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethoxy-6-methylheptan-2-amine?
The IUPAC name of 1,6-dimethoxy-6-methylheptan-2-amine (CID 103034591) is 1,6-dimethoxy-6-methylheptan-2-amine.
What is the SMILES notation for 1,6-dimethoxy-6-methylheptan-2-amine?
The canonical SMILES for 1,6-dimethoxy-6-methylheptan-2-amine is COCC(N)CCCC(C)(C)OC.
What is the InChIKey of 1,6-dimethoxy-6-methylheptan-2-amine?
The InChIKey is FDQVGDZGRSGYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-10(2,13-4)7-5-6-9(11)8-12-3/h9H,5-8,11H2,1-4H3.
What are the key properties of 1,6-dimethoxy-6-methylheptan-2-amine?
1,6-dimethoxy-6-methylheptan-2-amine has a molecular weight of 189.30 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxy-6-methylheptan-2-amine is sourced from PubChem (CID 103034591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).