N-(2-methoxyethoxy)-3-methylbutan-1-amine

C8H19NO2 — CID 82711034

IUPACN-(2-methoxyethoxy)-3-methylbutan-1-amine
SMILESCOCCONCCC(C)C
InChIInChI=1S/C8H19NO2/c1-8(2)4-5-9-11-7-6-10-3/h8-9H,4-7H2,1-3H3
InChIKeyURLYSRYOZPIPJK-UHFFFAOYSA-N
MW161.24 g/mol
LogP1.20
Rot. Bonds7

About N-(2-methoxyethoxy)-3-methylbutan-1-amine

N-(2-methoxyethoxy)-3-methylbutan-1-amine (PubChem CID 82711034) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-3-methylbutan-1-amine
PubChem CID82711034
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC NameN-(2-methoxyethoxy)-3-methylbutan-1-amine
SMILESCOCCONCCC(C)C
InChIInChI=1S/C8H19NO2/c1-8(2)4-5-9-11-7-6-10-3/h8-9H,4-7H2,1-3H3
InChIKeyURLYSRYOZPIPJK-UHFFFAOYSA-N
XLogP1.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(2-methoxyethoxy)ethanamine
CID 82723121
N'-(2-methoxyethoxy)ethane-1,2-diamine
CID 130589028
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
N-(2-methoxyethoxy)-N',N'-dimethylethane-1,2-diamine
CID 82722042
1-(2-methoxyethoxymethoxy)-4-methylpentane
CID 157079781
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine
CID 104567163
N-(3-methoxypropyl)-5-methylhexan-1-amine
CID 115325588
3-methoxy-N-(2-methylpropoxy)propan-1-amine
CID 82714387
N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 62603286
1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol
CID 82723139
ethane;1-methoxy-3-methylbutane
CID 144580604
N-(2-methoxyethyl)-4-(4-methylpentoxy)butan-1-amine
CID 62597263

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-3-methylbutan-1-amine?
The IUPAC name of N-(2-methoxyethoxy)-3-methylbutan-1-amine (CID 82711034) is N-(2-methoxyethoxy)-3-methylbutan-1-amine.
What is the SMILES notation for N-(2-methoxyethoxy)-3-methylbutan-1-amine?
The canonical SMILES for N-(2-methoxyethoxy)-3-methylbutan-1-amine is COCCONCCC(C)C.
What is the InChIKey of N-(2-methoxyethoxy)-3-methylbutan-1-amine?
The InChIKey is URLYSRYOZPIPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-8(2)4-5-9-11-7-6-10-3/h8-9H,4-7H2,1-3H3.
What are the key properties of N-(2-methoxyethoxy)-3-methylbutan-1-amine?
N-(2-methoxyethoxy)-3-methylbutan-1-amine has a molecular weight of 161.24 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-3-methylbutan-1-amine is sourced from PubChem (CID 82711034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).