3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine

C14H31NO — CID 116724435

IUPAC3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine
SMILESCNC(CCC(C)(C)C)C(OC)C(C)(C)C
InChIInChI=1S/C14H31NO/c1-13(2,3)10-9-11(15-7)12(16-8)14(4,5)6/h11-12,15H,9-10H2,1-8H3
InChIKeyTVTQESJXYRIRDE-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.46
Rot. Bonds5

About 3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine

3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine (PubChem CID 116724435) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine.

Molecular Properties

Compound Name3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine
PubChem CID116724435
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine
SMILESCNC(CCC(C)(C)C)C(OC)C(C)(C)C
InChIInChI=1S/C14H31NO/c1-13(2,3)10-9-11(15-7)12(16-8)14(4,5)6/h11-12,15H,9-10H2,1-8H3
InChIKeyTVTQESJXYRIRDE-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N,6,6-trimethylheptan-3-amine
CID 79616446
3-methoxy-N,2,2-trimethyloct-7-en-4-amine
CID 116724554
1,3-dimethoxy-N,4,4-trimethylpentan-2-amine
CID 116724510
1,1-difluoro-N,5,5-trimethylhexan-2-amine
CID 103516587
1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-amine
CID 116724473
1-(4-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine
CID 116724396
ethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine
CID 142059377
2-methoxy-N,5,5-trimethylhexan-1-amine
CID 177141375
6,6,6-trifluoro-2-methoxy-N-methylhexan-3-amine
CID 79617778
(3-methoxy-2,2,6-trimethylheptan-4-yl)hydrazine
CID 105273294
1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane
CID 158785130
N-ethyl-1,5-dimethoxy-6,6-dimethylheptan-4-amine
CID 114857105

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine?
The IUPAC name of 3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine (CID 116724435) is 3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine.
What is the SMILES notation for 3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine?
The canonical SMILES for 3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine is CNC(CCC(C)(C)C)C(OC)C(C)(C)C.
What is the InChIKey of 3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine?
The InChIKey is TVTQESJXYRIRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-13(2,3)10-9-11(15-7)12(16-8)14(4,5)6/h11-12,15H,9-10H2,1-8H3.
What are the key properties of 3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine?
3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine has a molecular weight of 229.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine is sourced from PubChem (CID 116724435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).