7-methoxy-N,2,2,7-tetramethyloctan-3-amine

C13H29NO — CID 103034547

IUPAC7-methoxy-N,2,2,7-tetramethyloctan-3-amine
SMILESCNC(CCCC(C)(C)OC)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-12(2,3)11(14-6)9-8-10-13(4,5)15-7/h11,14H,8-10H2,1-7H3
InChIKeyDFMQSEMLHWITAM-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds6

About 7-methoxy-N,2,2,7-tetramethyloctan-3-amine

7-methoxy-N,2,2,7-tetramethyloctan-3-amine (PubChem CID 103034547) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 7-methoxy-N,2,2,7-tetramethyloctan-3-amine.

Molecular Properties

Compound Name7-methoxy-N,2,2,7-tetramethyloctan-3-amine
PubChem CID103034547
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name7-methoxy-N,2,2,7-tetramethyloctan-3-amine
SMILESCNC(CCCC(C)(C)OC)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-12(2,3)11(14-6)9-8-10-13(4,5)15-7/h11,14H,8-10H2,1-7H3
InChIKeyDFMQSEMLHWITAM-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-methoxy-N,2,2,7-tetramethyloctan-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

Related Compounds

Hexylamine, 5-methoxy-N,1,5-trimethyl-, hydrochloride
CID 44690
2-methoxy-N,2-dimethylundecan-4-amine
CID 103025042
N-ethyl-2-methoxy-2-methyldecan-4-amine
CID 103025050
2-methoxy-N,2,7-trimethyloctan-4-amine
CID 103025053
2-methoxy-2,7-dimethyl-N-propyloctan-4-amine
CID 103025055
2-methoxy-N,2-dimethyldodecan-4-amine
CID 103025057
2-methoxy-N,2-dimethylnonan-4-amine
CID 103025061
N-ethyl-2-methoxy-2-methylnonan-4-amine
CID 103025062
2-methoxy-2-methyl-N-propylnonan-4-amine
CID 103025063
2-methoxy-N,2,7,7-tetramethyloctan-4-amine
CID 103025200
N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine
CID 103025252
2-methoxy-2,7,7-trimethyl-N-propyloctan-4-amine
CID 103025253

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N,2,2,7-tetramethyloctan-3-amine?
The IUPAC name of 7-methoxy-N,2,2,7-tetramethyloctan-3-amine (CID 103034547) is 7-methoxy-N,2,2,7-tetramethyloctan-3-amine.
What is the SMILES notation for 7-methoxy-N,2,2,7-tetramethyloctan-3-amine?
The canonical SMILES for 7-methoxy-N,2,2,7-tetramethyloctan-3-amine is CNC(CCCC(C)(C)OC)C(C)(C)C.
What is the InChIKey of 7-methoxy-N,2,2,7-tetramethyloctan-3-amine?
The InChIKey is DFMQSEMLHWITAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-12(2,3)11(14-6)9-8-10-13(4,5)15-7/h11,14H,8-10H2,1-7H3.
What are the key properties of 7-methoxy-N,2,2,7-tetramethyloctan-3-amine?
7-methoxy-N,2,2,7-tetramethyloctan-3-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N,2,2,7-tetramethyloctan-3-amine is sourced from PubChem (CID 103034547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).