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

C13H29NO2 — CID 103031782

IUPAC2,6-dimethoxy-6-methyl-N-propylheptan-3-amine
SMILESCCCNC(CCC(C)(C)OC)C(C)OC
InChIInChI=1S/C13H29NO2/c1-7-10-14-12(11(2)15-5)8-9-13(3,4)16-6/h11-12,14H,7-10H2,1-6H3
InChIKeyMNGUKZWFGUBUHC-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.59
Rot. Bonds9

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

2,6-dimethoxy-6-methyl-N-propylheptan-3-amine (PubChem CID 103031782) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2,6-dimethoxy-6-methyl-N-propylheptan-3-amine.

Molecular Properties

Compound Name2,6-dimethoxy-6-methyl-N-propylheptan-3-amine
PubChem CID103031782
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2,6-dimethoxy-6-methyl-N-propylheptan-3-amine
SMILESCCCNC(CCC(C)(C)OC)C(C)OC
InChIInChI=1S/C13H29NO2/c1-7-10-14-12(11(2)15-5)8-9-13(3,4)16-6/h11-12,14H,7-10H2,1-6H3
InChIKeyMNGUKZWFGUBUHC-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.59
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-methyl-N-propylheptan-3-amine?
The IUPAC name of 2,6-dimethoxy-6-methyl-N-propylheptan-3-amine (CID 103031782) is 2,6-dimethoxy-6-methyl-N-propylheptan-3-amine.
What is the SMILES notation for 2,6-dimethoxy-6-methyl-N-propylheptan-3-amine?
The canonical SMILES for 2,6-dimethoxy-6-methyl-N-propylheptan-3-amine is CCCNC(CCC(C)(C)OC)C(C)OC.
What is the InChIKey of 2,6-dimethoxy-6-methyl-N-propylheptan-3-amine?
The InChIKey is MNGUKZWFGUBUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-7-10-14-12(11(2)15-5)8-9-13(3,4)16-6/h11-12,14H,7-10H2,1-6H3.
What are the key properties of 2,6-dimethoxy-6-methyl-N-propylheptan-3-amine?
2,6-dimethoxy-6-methyl-N-propylheptan-3-amine has a molecular weight of 231.38 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-6-methyl-N-propylheptan-3-amine is sourced from PubChem (CID 103031782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).