2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine

C14H31NO2 — CID 103032439

IUPAC2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
SMILESCCCNC(CCC(C)(C)OC)C(C)(C)OC
InChIInChI=1S/C14H31NO2/c1-8-11-15-12(14(4,5)17-7)9-10-13(2,3)16-6/h12,15H,8-11H2,1-7H3
InChIKeyJETFMMRILJBDLF-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.98
Rot. Bonds9

About 2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine

2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine (PubChem CID 103032439) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine.

Molecular Properties

Compound Name2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
PubChem CID103032439
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
SMILESCCCNC(CCC(C)(C)OC)C(C)(C)OC
InChIInChI=1S/C14H31NO2/c1-8-11-15-12(14(4,5)17-7)9-10-13(2,3)16-6/h12,15H,8-11H2,1-7H3
InChIKeyJETFMMRILJBDLF-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine?
The IUPAC name of 2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine (CID 103032439) is 2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine.
What is the SMILES notation for 2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine?
The canonical SMILES for 2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine is CCCNC(CCC(C)(C)OC)C(C)(C)OC.
What is the InChIKey of 2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine?
The InChIKey is JETFMMRILJBDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-8-11-15-12(14(4,5)17-7)9-10-13(2,3)16-6/h12,15H,8-11H2,1-7H3.
What are the key properties of 2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine?
2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine has a molecular weight of 245.41 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine is sourced from PubChem (CID 103032439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).