N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine

C12H27NO3 — CID 104562209

IUPACN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCCOCCOCCOC
InChIInChI=1S/C12H27NO3/c1-4-12(2)11-13-5-6-15-9-10-16-8-7-14-3/h12-13H,4-11H2,1-3H3
InChIKeyVPSDCPQABRYEBI-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.30
Rot. Bonds12

About N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine (PubChem CID 104562209) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine
PubChem CID104562209
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCCOCCOCCOC
InChIInChI=1S/C12H27NO3/c1-4-12(2)11-13-5-6-15-9-10-16-8-7-14-3/h12-13H,4-11H2,1-3H3
InChIKeyVPSDCPQABRYEBI-UHFFFAOYSA-N
XLogP1.30
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-2-methylbutan-1-amine;molecular hydrogen
CID 156794535
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-1-amine
CID 142623041
1-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 104562097
2-methyl-N-(2-undecoxyethyl)butan-1-amine
CID 22091443
N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine
CID 79568933
2-methyl-N-[2-[2-[2-[2-(4-methylhex-2-ynoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
CID 156795110
3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine
CID 103413068
N-[2-(cyclopropylmethoxy)ethyl]-2-methylbutan-1-amine
CID 103897079
2-chloro-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentan-1-amine
CID 107155875
2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]ethanamine
CID 130284119
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
CID 28720680

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine (CID 104562209) is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine is CCC(C)CNCCOCCOCCOC.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine?
The InChIKey is VPSDCPQABRYEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-4-12(2)11-13-5-6-15-9-10-16-8-7-14-3/h12-13H,4-11H2,1-3H3.
What are the key properties of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine?
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 1.30, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine is sourced from PubChem (CID 104562209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).