6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine

C16H35NO4 — CID 104566998

IUPAC6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine
SMILESCCCCOCCOCCOCCOCCCCCCN
InChIInChI=1S/C16H35NO4/c1-2-3-9-18-11-13-20-15-16-21-14-12-19-10-7-5-4-6-8-17/h2-17H2,1H3
InChIKeyHMEUXOKRLYIPGU-UHFFFAOYSA-N
MW305.46 g/mol
LogP2.37
Rot. Bonds18

About 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine

6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine (PubChem CID 104566998) has the molecular formula C16H35NO4 and a molecular weight of 305.46 g/mol. Its IUPAC name is 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine.

Molecular Properties

Compound Name6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine
PubChem CID104566998
Molecular FormulaC16H35NO4
Molecular Weight305.46 g/mol
Exact Mass305.26
IUPAC Name6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine
SMILESCCCCOCCOCCOCCOCCCCCCN
InChIInChI=1S/C16H35NO4/c1-2-3-9-18-11-13-20-15-16-21-14-12-19-10-7-5-4-6-8-17/h2-17H2,1H3
InChIKeyHMEUXOKRLYIPGU-UHFFFAOYSA-N
XLogP2.37
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 52.37
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

3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
4-nonoxybutan-1-amine
CID 139664551
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
4-(4-decoxyperoxybutoxy)butan-1-amine
CID 87469347
1,10-bis(2-butoxyethoxy)decane
CID 90257337
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 139598207
3-dodecoxypropan-1-amine;hydrobromide
CID 173075424
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 86291503
2-[2-(2-octadecoxyethoxy)ethoxy]ethanamine
CID 139597829
4-(4-propoxybutoxy)butan-1-amine
CID 87914116
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine?
The IUPAC name of 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine (CID 104566998) is 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine.
What is the SMILES notation for 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine?
The canonical SMILES for 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine is CCCCOCCOCCOCCOCCCCCCN.
What is the InChIKey of 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine?
The InChIKey is HMEUXOKRLYIPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO4/c1-2-3-9-18-11-13-20-15-16-21-14-12-19-10-7-5-4-6-8-17/h2-17H2,1H3.
What are the key properties of 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine?
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine has a molecular weight of 305.46 g/mol, XLogP of 2.37, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine is sourced from PubChem (CID 104566998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).