N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine

C14H31NO — CID 103025252

IUPACN-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine
SMILESCCNC(CCC(C)(C)C)CC(C)(C)OC
InChIInChI=1S/C14H31NO/c1-8-15-12(9-10-13(2,3)4)11-14(5,6)16-7/h12,15H,8-11H2,1-7H3
InChIKeySVKJSHPCPRZKOL-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds7

About N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine

N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine (PubChem CID 103025252) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine
PubChem CID103025252
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine
SMILESCCNC(CCC(C)(C)C)CC(C)(C)OC
InChIInChI=1S/C14H31NO/c1-8-15-12(9-10-13(2,3)4)11-14(5,6)16-7/h12,15H,8-11H2,1-7H3
InChIKeySVKJSHPCPRZKOL-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-7-methoxy-2,2,7-trimethyloctan-4-amine
CID 103031647
3-(ethylamino)-5-methoxy-5-methylhexan-1-ol
CID 106676516
N-ethyl-2-methoxy-2-methylnon-7-yn-4-amine
CID 103029348
N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine
CID 79954629
1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103031120
N-ethyl-2-methoxy-2,6-dimethylnonan-4-amine
CID 103025130
N-ethyl-2,7,7-trimethyloctan-4-amine
CID 62601319
N-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine
CID 105140017
2,7-dimethoxy-N,2,7-trimethyloctan-4-amine
CID 103031280
2-methoxy-2-methyl-N-propylundecan-4-amine
CID 103025043
N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine
CID 115712795
2-methoxy-N,2-dimethylheptan-4-amine
CID 103024818

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine?
The IUPAC name of N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine (CID 103025252) is N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine.
What is the SMILES notation for N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine?
The canonical SMILES for N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine is CCNC(CCC(C)(C)C)CC(C)(C)OC.
What is the InChIKey of N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine?
The InChIKey is SVKJSHPCPRZKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-8-15-12(9-10-13(2,3)4)11-14(5,6)16-7/h12,15H,8-11H2,1-7H3.
What are the key properties of N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine?
N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine is sourced from PubChem (CID 103025252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).