2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine

C14H31NO2 — CID 103285765

IUPAC2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine
SMILESCCCCOCCNCCOCC(C)CCC
InChIInChI=1S/C14H31NO2/c1-4-6-10-16-11-8-15-9-12-17-13-14(3)7-5-2/h14-15H,4-13H2,1-3H3
InChIKeyVCFFMVJXQDDQPC-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.85
Rot. Bonds13

About 2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine

2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine (PubChem CID 103285765) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine
PubChem CID103285765
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine
SMILESCCCCOCCNCCOCC(C)CCC
InChIInChI=1S/C14H31NO2/c1-4-6-10-16-11-8-15-9-12-17-13-14(3)7-5-2/h14-15H,4-13H2,1-3H3
InChIKeyVCFFMVJXQDDQPC-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.85
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-(2-methylpentoxy)ethyl]butan-1-amine
CID 103285806
N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine
CID 103285767
N-ethyl-5-(2-methylpentoxy)pentan-1-amine
CID 103285584
2-butoxy-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine
CID 107757262
6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine
CID 103285710
5-(2-methylpentoxy)-N-(2-methylpropyl)pentan-1-amine
CID 103285585
2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine
CID 114505577
N-[2-(2-methylpentoxy)ethyl]pentan-3-amine
CID 103285771
N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine
CID 106452398
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
4-(2-butoxyethylamino)-3-methylbutan-1-ol
CID 66108115
2-butoxy-N-[2-(2-methylbutylsulfanyl)ethyl]ethanamine
CID 107757478

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine?
The IUPAC name of 2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine (CID 103285765) is 2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine is CCCCOCCNCCOCC(C)CCC.
What is the InChIKey of 2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine?
The InChIKey is VCFFMVJXQDDQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-4-6-10-16-11-8-15-9-12-17-13-14(3)7-5-2/h14-15H,4-13H2,1-3H3.
What are the key properties of 2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine?
2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine has a molecular weight of 245.41 g/mol, XLogP of 2.85, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine is sourced from PubChem (CID 103285765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).