4-[4-(ethylamino)-2-methylbutan-2-yl]oxy-2-methylbutan-2-amine

C12H28N2O — CID 142573796

IUPAC4-[4-(ethylamino)-2-methylbutan-2-yl]oxy-2-methylbutan-2-amine
SMILESCCNCCC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C12H28N2O/c1-6-14-9-7-12(4,5)15-10-8-11(2,3)13/h14H,6-10,13H2,1-5H3
InChIKeyNXXZEBCFXNHLIB-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.91
Rot. Bonds8

About 4-[4-(ethylamino)-2-methylbutan-2-yl]oxy-2-methylbutan-2-amine

4-[4-(ethylamino)-2-methylbutan-2-yl]oxy-2-methylbutan-2-amine (PubChem CID 142573796) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 4-[4-(ethylamino)-2-methylbutan-2-yl]oxy-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-[4-(ethylamino)-2-methylbutan-2-yl]oxy-2-methylbutan-2-amine
PubChem CID142573796
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name4-[4-(ethylamino)-2-methylbutan-2-yl]oxy-2-methylbutan-2-amine
SMILESCCNCCC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C12H28N2O/c1-6-14-9-7-12(4,5)15-10-8-11(2,3)13/h14H,6-10,13H2,1-5H3
InChIKeyNXXZEBCFXNHLIB-UHFFFAOYSA-N
XLogP1.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-[4-(1-fluoro-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]ethane-1,2-diamine
CID 90053518
3-ethoxy-N,3-dimethylbutan-1-amine
CID 55299107
N-[3-(2-methylbutoxy)propyl]butan-1-amine
CID 57643400
N-(3-ethoxypropyl)-2-methylpropan-2-amine
CID 57957562
2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine
CID 59151040
(3-Methoxypropyl)(2-methylbutan-2-yl)amine
CID 60775089
3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpropan-1-amine
CID 61684721
[4-(Tert-butoxy)butan-2-yl](methyl)amine
CID 61769814
N-tert-butyl-4-ethoxybutan-1-amine
CID 62443710
2-methyl-N-(3-propoxypropyl)propan-2-amine
CID 62450237
N-tert-butyl-4-propoxybutan-1-amine
CID 62451147
N-(3-butoxypropyl)-2-methylpropan-2-amine
CID 62451161

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylamino)-2-methylbutan-2-yl]oxy-2-methylbutan-2-amine?
The IUPAC name of 4-[4-(ethylamino)-2-methylbutan-2-yl]oxy-2-methylbutan-2-amine (CID 142573796) is 4-[4-(ethylamino)-2-methylbutan-2-yl]oxy-2-methylbutan-2-amine.
What is the SMILES notation for 4-[4-(ethylamino)-2-methylbutan-2-yl]oxy-2-methylbutan-2-amine?
The canonical SMILES for 4-[4-(ethylamino)-2-methylbutan-2-yl]oxy-2-methylbutan-2-amine is CCNCCC(C)(C)OCCC(C)(C)N.
What is the InChIKey of 4-[4-(ethylamino)-2-methylbutan-2-yl]oxy-2-methylbutan-2-amine?
The InChIKey is NXXZEBCFXNHLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-14-9-7-12(4,5)15-10-8-11(2,3)13/h14H,6-10,13H2,1-5H3.
What are the key properties of 4-[4-(ethylamino)-2-methylbutan-2-yl]oxy-2-methylbutan-2-amine?
4-[4-(ethylamino)-2-methylbutan-2-yl]oxy-2-methylbutan-2-amine has a molecular weight of 216.37 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylamino)-2-methylbutan-2-yl]oxy-2-methylbutan-2-amine is sourced from PubChem (CID 142573796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).