N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine

C12H27NO2 — CID 106668200

IUPACN-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine
SMILESCCCCNCCOCCC(C)(C)OC
InChIInChI=1S/C12H27NO2/c1-5-6-8-13-9-11-15-10-7-12(2,3)14-4/h13H,5-11H2,1-4H3
InChIKeyKUBFZOHKYQCAFQ-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.21
Rot. Bonds10

About N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine

N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine (PubChem CID 106668200) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine
PubChem CID106668200
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine
SMILESCCCCNCCOCCC(C)(C)OC
InChIInChI=1S/C12H27NO2/c1-5-6-8-13-9-11-15-10-7-12(2,3)14-4/h13H,5-11H2,1-4H3
InChIKeyKUBFZOHKYQCAFQ-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.21
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

3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine
CID 103033527
N-[2-[2-(tert-butylamino)ethoxy]ethyl]butan-1-amine
CID 149134271
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine
CID 106668220
N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033107
3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine
CID 106675103
N-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine
CID 106206265
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine
CID 106665349
N-[2-(2-methoxyethoxy)ethyl]dodecan-1-amine
CID 63492773
N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106667698

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine?
The IUPAC name of N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine (CID 106668200) is N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine.
What is the SMILES notation for N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine?
The canonical SMILES for N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine is CCCCNCCOCCC(C)(C)OC.
What is the InChIKey of N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine?
The InChIKey is KUBFZOHKYQCAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-6-8-13-9-11-15-10-7-12(2,3)14-4/h13H,5-11H2,1-4H3.
What are the key properties of N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine?
N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine is sourced from PubChem (CID 106668200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).