2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine

C13H27NO2 — CID 114470898

IUPAC2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine
SMILESC=C(C)CCOCCNCCOCCCC
InChIInChI=1S/C13H27NO2/c1-4-5-9-15-11-7-14-8-12-16-10-6-13(2)3/h14H,2,4-12H2,1,3H3
InChIKeyHVPWUDAJSQFZEM-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.38
Rot. Bonds12

About 2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine

2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine (PubChem CID 114470898) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine
PubChem CID114470898
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine
SMILESC=C(C)CCOCCNCCOCCCC
InChIInChI=1S/C13H27NO2/c1-4-5-9-15-11-7-14-8-12-16-10-6-13(2)3/h14H,2,4-12H2,1,3H3
InChIKeyHVPWUDAJSQFZEM-UHFFFAOYSA-N
XLogP2.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-[2-(3-methylbut-3-enoxy)ethyl]ethane-1,2-diamine
CID 114470922
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
1-(8-methylnon-8-enoxy)dodecane
CID 10520052
8-heptoxy-2-methyloct-1-ene
CID 59205550
2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114442
N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine
CID 114505577
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
4-(2-butoxyethylamino)-N-methylbutanamide
CID 63891192
2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427700

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine?
The IUPAC name of 2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine (CID 114470898) is 2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine is C=C(C)CCOCCNCCOCCCC.
What is the InChIKey of 2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine?
The InChIKey is HVPWUDAJSQFZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-5-9-15-11-7-14-8-12-16-10-6-13(2)3/h14H,2,4-12H2,1,3H3.
What are the key properties of 2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine?
2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine has a molecular weight of 229.36 g/mol, XLogP of 2.38, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine is sourced from PubChem (CID 114470898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).