3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine

C17H37NO3 — CID 104564635

IUPAC3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine
SMILESCCCCOCCOCCOCCC(C(C)C)C(C)NC
InChIInChI=1S/C17H37NO3/c1-6-7-9-19-11-13-21-14-12-20-10-8-17(15(2)3)16(4)18-5/h15-18H,6-14H2,1-5H3
InChIKeyYZLZGVXODDBSOQ-UHFFFAOYSA-N
MW303.49 g/mol
LogP3.11
Rot. Bonds15

About 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine

3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine (PubChem CID 104564635) has the molecular formula C17H37NO3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine
PubChem CID104564635
Molecular FormulaC17H37NO3
Molecular Weight303.49 g/mol
Exact Mass303.28
IUPAC Name3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine
SMILESCCCCOCCOCCOCCC(C(C)C)C(C)NC
InChIInChI=1S/C17H37NO3/c1-6-7-9-19-11-13-21-14-12-20-10-8-17(15(2)3)16(4)18-5/h15-18H,6-14H2,1-5H3
InChIKeyYZLZGVXODDBSOQ-UHFFFAOYSA-N
XLogP3.11
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-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

3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine
CID 104564633
3-(2-butoxyethyl)-4-methylpentan-2-ol
CID 62914613
6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine
CID 104564547
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
CID 104567852
1-butoxybutane;N-methylmethanamine
CID 88830911
N-[2-(2-butoxyethoxy)ethyl]-3-methylbutan-2-amine
CID 62598326
6-butoxy-N-methylhexan-3-amine
CID 61483969
1-butoxy-5-methoxy-N-methylpentan-3-amine
CID 114998768
5-butoxy-1,1,1-trifluoro-N-methylpentan-3-amine
CID 115002355
3-(2-ethoxyethyl)-N-ethyl-4-methylpentan-2-amine
CID 62915827
4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane
CID 104568686

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine (CID 104564635) is 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine is CCCCOCCOCCOCCC(C(C)C)C(C)NC.
What is the InChIKey of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine?
The InChIKey is YZLZGVXODDBSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO3/c1-6-7-9-19-11-13-21-14-12-20-10-8-17(15(2)3)16(4)18-5/h15-18H,6-14H2,1-5H3.
What are the key properties of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine?
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine has a molecular weight of 303.49 g/mol, XLogP of 3.11, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 104564635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).