N-(2-methoxyethyl)butan-1-amine

C7H17NO — CID 3529507

IUPACN-(2-methoxyethyl)butan-1-amine
SMILESCCCCNCCOC
InChIInChI=1S/C7H17NO/c1-3-4-5-8-6-7-9-2/h8H,3-7H2,1-2H3
InChIKeyKBFNFQKDHFXGNQ-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.02
Rot. Bonds6

About N-(2-methoxyethyl)butan-1-amine

N-(2-methoxyethyl)butan-1-amine (PubChem CID 3529507) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)butan-1-amine
PubChem CID3529507
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC NameN-(2-methoxyethyl)butan-1-amine
SMILESCCCCNCCOC
InChIInChI=1S/C7H17NO/c1-3-4-5-8-6-7-9-2/h8H,3-7H2,1-2H3
InChIKeyKBFNFQKDHFXGNQ-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)butan-1-amine (CID 3529507) is N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)butan-1-amine is CCCCNCCOC.
What is the InChIKey of N-(2-methoxyethyl)butan-1-amine?
The InChIKey is KBFNFQKDHFXGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-3-4-5-8-6-7-9-2/h8H,3-7H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)butan-1-amine?
N-(2-methoxyethyl)butan-1-amine has a molecular weight of 131.22 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 3529507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).