2,7-dimethoxy-N,2,7-trimethyloctan-4-amine

C13H29NO2 — CID 103031280

IUPAC2,7-dimethoxy-N,2,7-trimethyloctan-4-amine
SMILESCNC(CCC(C)(C)OC)CC(C)(C)OC
InChIInChI=1S/C13H29NO2/c1-12(2,15-6)9-8-11(14-5)10-13(3,4)16-7/h11,14H,8-10H2,1-7H3
InChIKeySJUORMODUSPKBP-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.59
Rot. Bonds8

About 2,7-dimethoxy-N,2,7-trimethyloctan-4-amine

2,7-dimethoxy-N,2,7-trimethyloctan-4-amine (PubChem CID 103031280) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2,7-dimethoxy-N,2,7-trimethyloctan-4-amine.

Molecular Properties

Compound Name2,7-dimethoxy-N,2,7-trimethyloctan-4-amine
PubChem CID103031280
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2,7-dimethoxy-N,2,7-trimethyloctan-4-amine
SMILESCNC(CCC(C)(C)OC)CC(C)(C)OC
InChIInChI=1S/C13H29NO2/c1-12(2,15-6)9-8-11(14-5)10-13(3,4)16-7/h11,14H,8-10H2,1-7H3
InChIKeySJUORMODUSPKBP-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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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Related Compounds

7-methoxy-N,7-dimethyloctan-4-amine
CID 103031355
2-methoxy-N,2-dimethylheptan-4-amine
CID 103024818
2-methoxy-N,2-dimethylnonan-5-amine
CID 103031216
7-methoxy-N,7-dimethyloctan-3-amine
CID 103034550
8-methoxy-N,8-dimethylnonan-4-amine
CID 103034544
N-ethyl-7-methoxy-2,2,7-trimethyloctan-4-amine
CID 103031647
5-methoxy-N,5-dimethyl-1-phenoxyhexan-2-amine
CID 103031640
7-methoxy-N,7-dimethyl-1-phenyloctan-4-amine
CID 103032342
3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine
CID 103036101
N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine
CID 103025252
(1,6-dimethoxy-6-methylheptan-3-yl)hydrazine
CID 103026405
6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine
CID 103032202

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethoxy-N,2,7-trimethyloctan-4-amine?
The IUPAC name of 2,7-dimethoxy-N,2,7-trimethyloctan-4-amine (CID 103031280) is 2,7-dimethoxy-N,2,7-trimethyloctan-4-amine.
What is the SMILES notation for 2,7-dimethoxy-N,2,7-trimethyloctan-4-amine?
The canonical SMILES for 2,7-dimethoxy-N,2,7-trimethyloctan-4-amine is CNC(CCC(C)(C)OC)CC(C)(C)OC.
What is the InChIKey of 2,7-dimethoxy-N,2,7-trimethyloctan-4-amine?
The InChIKey is SJUORMODUSPKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-12(2,15-6)9-8-11(14-5)10-13(3,4)16-7/h11,14H,8-10H2,1-7H3.
What are the key properties of 2,7-dimethoxy-N,2,7-trimethyloctan-4-amine?
2,7-dimethoxy-N,2,7-trimethyloctan-4-amine has a molecular weight of 231.38 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethoxy-N,2,7-trimethyloctan-4-amine is sourced from PubChem (CID 103031280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).