4-ethoxy-2-ethyl-N-methylbutan-1-amine

C9H21NO — CID 62530936

IUPAC4-ethoxy-2-ethyl-N-methylbutan-1-amine
SMILESCCOCCC(CC)CNC
InChIInChI=1S/C9H21NO/c1-4-9(8-10-3)6-7-11-5-2/h9-10H,4-8H2,1-3H3
InChIKeyNKXWAUWZAYIVBD-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.66
Rot. Bonds7

About 4-ethoxy-2-ethyl-N-methylbutan-1-amine

4-ethoxy-2-ethyl-N-methylbutan-1-amine (PubChem CID 62530936) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 4-ethoxy-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-ethoxy-2-ethyl-N-methylbutan-1-amine
PubChem CID62530936
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name4-ethoxy-2-ethyl-N-methylbutan-1-amine
SMILESCCOCCC(CC)CNC
InChIInChI=1S/C9H21NO/c1-4-9(8-10-3)6-7-11-5-2/h9-10H,4-8H2,1-3H3
InChIKeyNKXWAUWZAYIVBD-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethoxy-2-ethyl-N-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethoxyethyl)-N-methylpentan-1-amine
CID 62530717
2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine
CID 62528504
1-[2-(2-ethoxyethoxy)ethoxy]-3-ethylpentane
CID 54377371
N-(cyclopropylmethyl)-4-ethoxy-2-ethylbutan-1-amine
CID 102547557
2-ethyl-N-methylpentan-1-amine;propane
CID 143462607
ethane;2-ethyl-N-methylbutan-1-amine
CID 143337044
2-(2-ethoxyethoxy)-N-methylbutan-1-amine
CID 62444508
4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62514359
N,4-dimethyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 62529508
2-ethyl-N-methylundecan-1-amine
CID 63522579
N,4-dimethyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine
CID 106456556
1-ethoxy-5-ethylheptan-3-ol
CID 105122574

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 4-ethoxy-2-ethyl-N-methylbutan-1-amine (CID 62530936) is 4-ethoxy-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 4-ethoxy-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 4-ethoxy-2-ethyl-N-methylbutan-1-amine is CCOCCC(CC)CNC.
What is the InChIKey of 4-ethoxy-2-ethyl-N-methylbutan-1-amine?
The InChIKey is NKXWAUWZAYIVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-9(8-10-3)6-7-11-5-2/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-ethoxy-2-ethyl-N-methylbutan-1-amine?
4-ethoxy-2-ethyl-N-methylbutan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 62530936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).