2-(2-butoxyethyl)-N,3,3-trimethylbutan-1-amine

C13H29NO — CID 83138608

IUPAC2-(2-butoxyethyl)-N,3,3-trimethylbutan-1-amine
SMILESCCCCOCCC(CNC)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-6-7-9-15-10-8-12(11-14-5)13(2,3)4/h12,14H,6-11H2,1-5H3
InChIKeyMTPZAPRRKKDJKR-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.07
Rot. Bonds8

About 2-(2-butoxyethyl)-N,3,3-trimethylbutan-1-amine

2-(2-butoxyethyl)-N,3,3-trimethylbutan-1-amine (PubChem CID 83138608) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-(2-butoxyethyl)-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name2-(2-butoxyethyl)-N,3,3-trimethylbutan-1-amine
PubChem CID83138608
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-(2-butoxyethyl)-N,3,3-trimethylbutan-1-amine
SMILESCCCCOCCC(CNC)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-6-7-9-15-10-8-12(11-14-5)13(2,3)4/h12,14H,6-11H2,1-5H3
InChIKeyMTPZAPRRKKDJKR-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxyethyl)-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83138570
1-butoxybutane;N-methylmethanamine
CID 88830911
3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83139215
2-(2-ethoxyethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83139517
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine
CID 104564635
2-(2-butoxyethyl)-N-ethyl-3-methylbutan-1-amine
CID 62530129
2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine
CID 83138911
[5-(2-butoxyethoxy)-3-[2-(2-butoxyethoxy)ethyl]-2-phenylpentan-2-yl]benzene
CID 173364305
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine
CID 103229034

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethyl)-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 2-(2-butoxyethyl)-N,3,3-trimethylbutan-1-amine (CID 83138608) is 2-(2-butoxyethyl)-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 2-(2-butoxyethyl)-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 2-(2-butoxyethyl)-N,3,3-trimethylbutan-1-amine is CCCCOCCC(CNC)C(C)(C)C.
What is the InChIKey of 2-(2-butoxyethyl)-N,3,3-trimethylbutan-1-amine?
The InChIKey is MTPZAPRRKKDJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-7-9-15-10-8-12(11-14-5)13(2,3)4/h12,14H,6-11H2,1-5H3.
What are the key properties of 2-(2-butoxyethyl)-N,3,3-trimethylbutan-1-amine?
2-(2-butoxyethyl)-N,3,3-trimethylbutan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethyl)-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 83138608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).