5-ethyl-N-(2-ethyl-4-methoxy-2-methylhexyl)-N,3,5-trimethylheptan-2-amine

C22H47NO — CID 123327817

IUPAC5-ethyl-N-(2-ethyl-4-methoxy-2-methylhexyl)-N,3,5-trimethylheptan-2-amine
SMILESCCC(CC(C)(CC)CN(C)C(C)C(C)CC(C)(CC)CC)OC
InChIInChI=1S/C22H47NO/c1-11-20(24-10)16-22(8,14-4)17-23(9)19(6)18(5)15-21(7,12-2)13-3/h18-20H,11-17H2,1-10H3
InChIKeyBLVJOEZFRWWXEY-UHFFFAOYSA-N
MW341.62 g/mol
LogP6.39
Rot. Bonds13

About 5-ethyl-N-(2-ethyl-4-methoxy-2-methylhexyl)-N,3,5-trimethylheptan-2-amine

5-ethyl-N-(2-ethyl-4-methoxy-2-methylhexyl)-N,3,5-trimethylheptan-2-amine (PubChem CID 123327817) has the molecular formula C22H47NO and a molecular weight of 341.62 g/mol. Its IUPAC name is 5-ethyl-N-(2-ethyl-4-methoxy-2-methylhexyl)-N,3,5-trimethylheptan-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(2-ethyl-4-methoxy-2-methylhexyl)-N,3,5-trimethylheptan-2-amine
PubChem CID123327817
Molecular FormulaC22H47NO
Molecular Weight341.62 g/mol
Exact Mass341.37
IUPAC Name5-ethyl-N-(2-ethyl-4-methoxy-2-methylhexyl)-N,3,5-trimethylheptan-2-amine
SMILESCCC(CC(C)(CC)CN(C)C(C)C(C)CC(C)(CC)CC)OC
InChIInChI=1S/C22H47NO/c1-11-20(24-10)16-22(8,14-4)17-23(9)19(6)18(5)15-21(7,12-2)13-3/h18-20H,11-17H2,1-10H3
InChIKeyBLVJOEZFRWWXEY-UHFFFAOYSA-N
XLogP6.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.62
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-methoxy-N,3,3,5-tetramethyl-N-propylnonan-1-amine
CID 90862088
N-[(5-ethyl-3-methyl-4-propyloxolan-3-yl)methyl]-N-methylpropan-2-amine
CID 91363302
N,2-diethyl-N-hexan-2-yl-1-methoxyhexan-1-amine
CID 91471623
2-ethyl-N,2-dimethyl-3-(2-methylpropoxy)-N-propan-2-ylhexan-1-amine
CID 123671688
N-butyl-4-ethyl-3-(1-methoxyethyl)-N,3-dimethylheptan-2-amine
CID 129095177
3,3,7,7-Tetramethyl-2-[methyl(propan-2-yl)amino]nonan-5-ol
CID 138705410
N,N-diethyl-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine
CID 139968837
5-methoxy-N,2,4,6-tetramethyl-N-propan-2-ylheptan-3-amine
CID 140921870
N-tert-butyl-5-methoxy-N,2,2,6,6-pentamethylheptan-3-amine
CID 140921952
N-tert-butyl-5-methoxy-N,2,2,4,6,6-hexamethylheptan-3-amine
CID 140921960
4-methoxy-N-[(3R,4S)-4-methylhexan-3-yl]-N-(2-methylpropyl)cyclohexan-1-amine
CID 142383702
N-ethyl-N-[2-(5-methyloxolan-3-yl)ethyl]pentadecan-8-amine
CID 146556757

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-ethyl-4-methoxy-2-methylhexyl)-N,3,5-trimethylheptan-2-amine?
The IUPAC name of 5-ethyl-N-(2-ethyl-4-methoxy-2-methylhexyl)-N,3,5-trimethylheptan-2-amine (CID 123327817) is 5-ethyl-N-(2-ethyl-4-methoxy-2-methylhexyl)-N,3,5-trimethylheptan-2-amine.
What is the SMILES notation for 5-ethyl-N-(2-ethyl-4-methoxy-2-methylhexyl)-N,3,5-trimethylheptan-2-amine?
The canonical SMILES for 5-ethyl-N-(2-ethyl-4-methoxy-2-methylhexyl)-N,3,5-trimethylheptan-2-amine is CCC(CC(C)(CC)CN(C)C(C)C(C)CC(C)(CC)CC)OC.
What is the InChIKey of 5-ethyl-N-(2-ethyl-4-methoxy-2-methylhexyl)-N,3,5-trimethylheptan-2-amine?
The InChIKey is BLVJOEZFRWWXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO/c1-11-20(24-10)16-22(8,14-4)17-23(9)19(6)18(5)15-21(7,12-2)13-3/h18-20H,11-17H2,1-10H3.
What are the key properties of 5-ethyl-N-(2-ethyl-4-methoxy-2-methylhexyl)-N,3,5-trimethylheptan-2-amine?
5-ethyl-N-(2-ethyl-4-methoxy-2-methylhexyl)-N,3,5-trimethylheptan-2-amine has a molecular weight of 341.62 g/mol, XLogP of 6.39, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-ethyl-4-methoxy-2-methylhexyl)-N,3,5-trimethylheptan-2-amine is sourced from PubChem (CID 123327817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).