2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine

C15H33NO2 — CID 83138570

IUPAC2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
SMILESCCCCOCCC(CNCCOC)C(C)(C)C
InChIInChI=1S/C15H33NO2/c1-6-7-10-18-11-8-14(15(2,3)4)13-16-9-12-17-5/h14,16H,6-13H2,1-5H3
InChIKeyROLXQDNGZBBRND-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.09
Rot. Bonds11

About 2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine

2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine (PubChem CID 83138570) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
PubChem CID83138570
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
SMILESCCCCOCCC(CNCCOC)C(C)(C)C
InChIInChI=1S/C15H33NO2/c1-6-7-10-18-11-8-14(15(2,3)4)13-16-9-12-17-5/h14,16H,6-13H2,1-5H3
InChIKeyROLXQDNGZBBRND-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.09
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

2-(2-butoxyethyl)-N,3,3-trimethylbutan-1-amine
CID 83138608
3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83139215
N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine
CID 79568933
4-butoxy-2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62724977
N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine
CID 106323897
2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine
CID 103183296
N-(2-methoxyethyl)-2-propylhexan-1-amine
CID 62718810
N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine
CID 63503515
N-(2-methoxyethyl)-2-methylnonan-1-amine
CID 62725842
2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine
CID 83138911
2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine
CID 102641672
4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine
CID 62725442

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine (CID 83138570) is 2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine is CCCCOCCC(CNCCOC)C(C)(C)C.
What is the InChIKey of 2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The InChIKey is ROLXQDNGZBBRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-6-7-10-18-11-8-14(15(2,3)4)13-16-9-12-17-5/h14,16H,6-13H2,1-5H3.
What are the key properties of 2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine has a molecular weight of 259.43 g/mol, XLogP of 3.09, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 83138570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).