4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine

C16H35NO4 — CID 104560395

IUPAC4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine
SMILESCCCCOCCOCCOCCOCCC(C)(C)CN
InChIInChI=1S/C16H35NO4/c1-4-5-7-18-9-11-20-13-14-21-12-10-19-8-6-16(2,3)15-17/h4-15,17H2,1-3H3
InChIKeyWHOWUZRWCJMANQ-UHFFFAOYSA-N
MW305.46 g/mol
LogP2.23
Rot. Bonds16

About 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine

4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine (PubChem CID 104560395) has the molecular formula C16H35NO4 and a molecular weight of 305.46 g/mol. Its IUPAC name is 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine
PubChem CID104560395
Molecular FormulaC16H35NO4
Molecular Weight305.46 g/mol
Exact Mass305.26
IUPAC Name4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine
SMILESCCCCOCCOCCOCCOCCC(C)(C)CN
InChIInChI=1S/C16H35NO4/c1-4-5-7-18-9-11-20-13-14-21-12-10-19-8-6-16(2,3)15-17/h4-15,17H2,1-3H3
InChIKeyWHOWUZRWCJMANQ-UHFFFAOYSA-N
XLogP2.23
TPSA62.94 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 ≤ 52.23
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

2,2-dimethyl-4-propoxybutan-1-amine
CID 65248577
4-(2-ethoxyethoxy)-2,2-dimethylbutan-1-amine
CID 65249201
2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine
CID 112587280
2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid
CID 106487235
1,6-bis(2-butoxyethoxy)-3,4-bis[2-(2-butoxyethoxy)ethyl]hexane-3,4-diol
CID 157473133
6-ethoxy-2,2-dimethylhexan-1-amine
CID 106708552
1-butoxy-3,3-difluorobutane
CID 175614029
1-(3,3-dimethylnonoxy)-3,3-dimethylnonane
CID 174611784
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
1,10-bis(2-butoxyethoxy)decane
CID 90257337
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1-butoxy-5,5-dimethylhexane
CID 134574772

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine (CID 104560395) is 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine is CCCCOCCOCCOCCOCCC(C)(C)CN.
What is the InChIKey of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine?
The InChIKey is WHOWUZRWCJMANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO4/c1-4-5-7-18-9-11-20-13-14-21-12-10-19-8-6-16(2,3)15-17/h4-15,17H2,1-3H3.
What are the key properties of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine?
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine has a molecular weight of 305.46 g/mol, XLogP of 2.23, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 104560395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).