2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine

C16H35NO4 — CID 104560997

IUPAC2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine
SMILESCCCCOCCOCCOCCOC(C)C(CC)NC
InChIInChI=1S/C16H35NO4/c1-5-7-8-18-9-10-19-11-12-20-13-14-21-15(3)16(6-2)17-4/h15-17H,5-14H2,1-4H3
InChIKeyNEFYBQNYJXQZGH-UHFFFAOYSA-N
MW305.46 g/mol
LogP2.24
Rot. Bonds16

About 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine

2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine (PubChem CID 104560997) has the molecular formula C16H35NO4 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine.

Molecular Properties

Compound Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine
PubChem CID104560997
Molecular FormulaC16H35NO4
Molecular Weight305.46 g/mol
Exact Mass305.26
IUPAC Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine
SMILESCCCCOCCOCCOCCOC(C)C(CC)NC
InChIInChI=1S/C16H35NO4/c1-5-7-8-18-9-10-19-11-12-20-13-14-21-15(3)16(6-2)17-4/h15-17H,5-14H2,1-4H3
InChIKeyNEFYBQNYJXQZGH-UHFFFAOYSA-N
XLogP2.24
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine
CID 104564547
3-(2-butoxyethoxy)butan-2-amine
CID 61351775
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467
1-butoxybutane;N-methylmethanamine
CID 88830911
6-butoxy-N-methylhexan-3-amine
CID 61483969
N-(3-butoxypropyl)-2-methylpentan-3-amine
CID 115704440
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
methyl (2R)-2-(2-butoxyethoxy)propanoate
CID 103337806
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine
CID 104564635
2-butoxyethyl 2-(methylamino)propanoate
CID 62638365
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1,10-bis(2-butoxyethoxy)decane
CID 90257337

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine?
The IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine (CID 104560997) is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine.
What is the SMILES notation for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine?
The canonical SMILES for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine is CCCCOCCOCCOCCOC(C)C(CC)NC.
What is the InChIKey of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine?
The InChIKey is NEFYBQNYJXQZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO4/c1-5-7-8-18-9-10-19-11-12-20-13-14-21-15(3)16(6-2)17-4/h15-17H,5-14H2,1-4H3.
What are the key properties of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine?
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine has a molecular weight of 305.46 g/mol, XLogP of 2.24, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine is sourced from PubChem (CID 104560997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).