6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine

C16H35NO3 — CID 104564547

IUPAC6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine
SMILESCCCCOCCOCCOCCCC(NC)C(C)C
InChIInChI=1S/C16H35NO3/c1-5-6-9-18-11-13-20-14-12-19-10-7-8-16(17-4)15(2)3/h15-17H,5-14H2,1-4H3
InChIKeyVDMWNDQTBGPOJD-UHFFFAOYSA-N
MW289.46 g/mol
LogP2.86
Rot. Bonds15

About 6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine

6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine (PubChem CID 104564547) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is 6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine.

Molecular Properties

Compound Name6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine
PubChem CID104564547
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Name6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine
SMILESCCCCOCCOCCOCCCC(NC)C(C)C
InChIInChI=1S/C16H35NO3/c1-5-6-9-18-11-13-20-14-12-19-10-7-8-16(17-4)15(2)3/h15-17H,5-14H2,1-4H3
InChIKeyVDMWNDQTBGPOJD-UHFFFAOYSA-N
XLogP2.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylpentan-3-amine
CID 104560997
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine
CID 104564635
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-chloro-4-methylpentan-3-amine
CID 106353840
6-butoxy-N-methylhexan-3-amine
CID 61483969
1-butoxybutane;N-methylmethanamine
CID 88830911
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
N-methyl-6-octoxyhexan-3-amine
CID 106800853
N-(3-butoxypropyl)-2-methylpentan-3-amine
CID 115704440
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
N,6-dimethyl-1-propoxyheptan-4-amine
CID 106454537
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
CID 104567852
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine?
The IUPAC name of 6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine (CID 104564547) is 6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine.
What is the SMILES notation for 6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine?
The canonical SMILES for 6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine is CCCCOCCOCCOCCCC(NC)C(C)C.
What is the InChIKey of 6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine?
The InChIKey is VDMWNDQTBGPOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3/c1-5-6-9-18-11-13-20-14-12-19-10-7-8-16(17-4)15(2)3/h15-17H,5-14H2,1-4H3.
What are the key properties of 6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine?
6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine has a molecular weight of 289.46 g/mol, XLogP of 2.86, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine is sourced from PubChem (CID 104564547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).