2,6-dimethoxy-6-methylheptan-3-amine

C10H23NO2 — CID 103031621

IUPAC2,6-dimethoxy-6-methylheptan-3-amine
SMILESCOC(C)C(N)CCC(C)(C)OC
InChIInChI=1S/C10H23NO2/c1-8(12-4)9(11)6-7-10(2,3)13-5/h8-9H,6-7,11H2,1-5H3
InChIKeyGJVFVLPCAYRPLR-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.55
Rot. Bonds6

About 2,6-dimethoxy-6-methylheptan-3-amine

2,6-dimethoxy-6-methylheptan-3-amine (PubChem CID 103031621) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2,6-dimethoxy-6-methylheptan-3-amine.

Molecular Properties

Compound Name2,6-dimethoxy-6-methylheptan-3-amine
PubChem CID103031621
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2,6-dimethoxy-6-methylheptan-3-amine
SMILESCOC(C)C(N)CCC(C)(C)OC
InChIInChI=1S/C10H23NO2/c1-8(12-4)9(11)6-7-10(2,3)13-5/h8-9H,6-7,11H2,1-5H3
InChIKeyGJVFVLPCAYRPLR-UHFFFAOYSA-N
XLogP1.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-6-methylheptan-3-amine?
The IUPAC name of 2,6-dimethoxy-6-methylheptan-3-amine (CID 103031621) is 2,6-dimethoxy-6-methylheptan-3-amine.
What is the SMILES notation for 2,6-dimethoxy-6-methylheptan-3-amine?
The canonical SMILES for 2,6-dimethoxy-6-methylheptan-3-amine is COC(C)C(N)CCC(C)(C)OC.
What is the InChIKey of 2,6-dimethoxy-6-methylheptan-3-amine?
The InChIKey is GJVFVLPCAYRPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-8(12-4)9(11)6-7-10(2,3)13-5/h8-9H,6-7,11H2,1-5H3.
What are the key properties of 2,6-dimethoxy-6-methylheptan-3-amine?
2,6-dimethoxy-6-methylheptan-3-amine has a molecular weight of 189.30 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-6-methylheptan-3-amine is sourced from PubChem (CID 103031621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).