N-(2-methoxyethyl)-3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine

C15H31NO2 — CID 103138998

IUPACN-(2-methoxyethyl)-3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine
SMILESCOCCNCC(CC1CCC(C)O1)C(C)(C)C
InChIInChI=1S/C15H31NO2/c1-12-6-7-14(18-12)10-13(15(2,3)4)11-16-8-9-17-5/h12-14,16H,6-11H2,1-5H3
InChIKeyKTPIXJYPZXKHQQ-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.84
Rot. Bonds7

About N-(2-methoxyethyl)-3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine

N-(2-methoxyethyl)-3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine (PubChem CID 103138998) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine
PubChem CID103138998
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-(2-methoxyethyl)-3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine
SMILESCOCCNCC(CC1CCC(C)O1)C(C)(C)C
InChIInChI=1S/C15H31NO2/c1-12-6-7-14(18-12)10-13(15(2,3)4)11-16-8-9-17-5/h12-14,16H,6-11H2,1-5H3
InChIKeyKTPIXJYPZXKHQQ-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.84
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

N-(2-methoxyethyl)-3-methyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine
CID 103138623
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 116523809
3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine
CID 103138980
N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine
CID 106323897
2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine
CID 103138492
2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83138570
2-[(2,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83139642
2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83138862
2-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83139451
1-methoxy-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine
CID 82833761
2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 103139099
2-ethoxy-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82833976

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine (CID 103138998) is N-(2-methoxyethyl)-3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine is COCCNCC(CC1CCC(C)O1)C(C)(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine?
The InChIKey is KTPIXJYPZXKHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-12-6-7-14(18-12)10-13(15(2,3)4)11-16-8-9-17-5/h12-14,16H,6-11H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine?
N-(2-methoxyethyl)-3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 103138998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).