N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine

C14H31NO2 — CID 112589971

IUPACN-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine
SMILESCCNCCCCCCOCCOC(C)(C)C
InChIInChI=1S/C14H31NO2/c1-5-15-10-8-6-7-9-11-16-12-13-17-14(2,3)4/h15H,5-13H2,1-4H3
InChIKeyWMGVULSNAUZTJF-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.99
Rot. Bonds11

About N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine

N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine (PubChem CID 112589971) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine
PubChem CID112589971
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC NameN-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine
SMILESCCNCCCCCCOCCOC(C)(C)C
InChIInChI=1S/C14H31NO2/c1-5-15-10-8-6-7-9-11-16-12-13-17-14(2,3)4/h15H,5-13H2,1-4H3
InChIKeyWMGVULSNAUZTJF-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-butoxyethoxy)-N-ethylpentan-1-amine
CID 62456764
5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine
CID 66227733
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane
CID 164583744
5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 112590039
1-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butoxy]-4-propoxybutane
CID 134553508
N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine
CID 118912417
2-methyl-N-[2-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propoxy]ethoxy]ethyl]propan-2-amine
CID 126654287
2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine
CID 112587455
4-[4-(ethylamino)butoxy]butan-1-amine
CID 163399899
N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
CID 112587414
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
N-ethyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958004

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine?
The IUPAC name of N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine (CID 112589971) is N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine.
What is the SMILES notation for N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine?
The canonical SMILES for N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine is CCNCCCCCCOCCOC(C)(C)C.
What is the InChIKey of N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine?
The InChIKey is WMGVULSNAUZTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-5-15-10-8-6-7-9-11-16-12-13-17-14(2,3)4/h15H,5-13H2,1-4H3.
What are the key properties of N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine?
N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 2.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-1-amine is sourced from PubChem (CID 112589971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).