4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine

C12H27NO2 — CID 104584741

IUPAC4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCOC(C)C
InChIInChI=1S/C12H27NO2/c1-10(2)15-8-7-13-11(3)9-12(4,5)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeySWINCXNWJLUZRM-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.20
Rot. Bonds8

About 4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine

4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine (PubChem CID 104584741) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine
PubChem CID104584741
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCOC(C)C
InChIInChI=1S/C12H27NO2/c1-10(2)15-8-7-13-11(3)9-12(4,5)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeySWINCXNWJLUZRM-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 60688575
N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine
CID 115712795
1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 65025563
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
4-methoxy-N-(2-methoxy-2-methylpropyl)-4-methylpentan-2-amine
CID 115728657
N-(2-propan-2-yloxyethyl)propan-2-amine
CID 21034307
3-[(4-methoxy-4-methylpentan-2-yl)amino]propanenitrile
CID 43147229
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine
CID 43147222
2-methyl-3-(2-propan-2-yloxyethylamino)butan-2-ol
CID 104759401
N-(2-propan-2-yloxyethyl)hexan-2-amine
CID 62199838
N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine
CID 82684700
[(2R)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 29014952

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine (CID 104584741) is 4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine is COC(C)(C)CC(C)NCCOC(C)C.
What is the InChIKey of 4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine?
The InChIKey is SWINCXNWJLUZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-10(2)15-8-7-13-11(3)9-12(4,5)14-6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of 4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine?
4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine is sourced from PubChem (CID 104584741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).