2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine

C16H33NO2 — CID 116523809

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
SMILESCOCCNCC(CC1CCC(C)(C)O1)C(C)(C)C
InChIInChI=1S/C16H33NO2/c1-15(2,3)13(12-17-9-10-18-6)11-14-7-8-16(4,5)19-14/h13-14,17H,7-12H2,1-6H3
InChIKeyDHQPDFAOVBIJJN-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.23
Rot. Bonds7

About 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine

2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine (PubChem CID 116523809) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
PubChem CID116523809
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
SMILESCOCCNCC(CC1CCC(C)(C)O1)C(C)(C)C
InChIInChI=1S/C16H33NO2/c1-15(2,3)13(12-17-9-10-18-6)11-14-7-8-16(4,5)19-14/h13-14,17H,7-12H2,1-6H3
InChIKeyDHQPDFAOVBIJJN-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.23
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-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 116525065
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 116523688
2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 116523803
2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 116523832
N-(2-methoxyethyl)-3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine
CID 103138998
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 116523652
N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine
CID 106323897
1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol
CID 116525058
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 116523574
2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 116523573
N-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine
CID 102900503
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 116521510

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine (CID 116523809) is 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine is COCCNCC(CC1CCC(C)(C)O1)C(C)(C)C.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The InChIKey is DHQPDFAOVBIJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-15(2,3)13(12-17-9-10-18-6)11-14-7-8-16(4,5)19-14/h13-14,17H,7-12H2,1-6H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine has a molecular weight of 271.44 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 116523809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).