4-(5-amino-2-methylpentan-2-yl)oxy-2,2-dimethylbutan-1-amine

C12H28N2O — CID 142184060

IUPAC4-(5-amino-2-methylpentan-2-yl)oxy-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCOC(C)(C)CCCN
InChIInChI=1S/C12H28N2O/c1-11(2,10-14)7-9-15-12(3,4)6-5-8-13/h5-10,13-14H2,1-4H3
InChIKeyKKDBYFRETZNEAO-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.90
Rot. Bonds8

About 4-(5-amino-2-methylpentan-2-yl)oxy-2,2-dimethylbutan-1-amine

4-(5-amino-2-methylpentan-2-yl)oxy-2,2-dimethylbutan-1-amine (PubChem CID 142184060) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 4-(5-amino-2-methylpentan-2-yl)oxy-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(5-amino-2-methylpentan-2-yl)oxy-2,2-dimethylbutan-1-amine
PubChem CID142184060
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name4-(5-amino-2-methylpentan-2-yl)oxy-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCOC(C)(C)CCCN
InChIInChI=1S/C12H28N2O/c1-11(2,10-14)7-9-15-12(3,4)6-5-8-13/h5-10,13-14H2,1-4H3
InChIKeyKKDBYFRETZNEAO-UHFFFAOYSA-N
XLogP1.90
TPSA61.27 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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-methylpentan-2-yl)oxy-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(5-amino-2-methylpentan-2-yl)oxy-2,2-dimethylbutan-1-amine (CID 142184060) is 4-(5-amino-2-methylpentan-2-yl)oxy-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(5-amino-2-methylpentan-2-yl)oxy-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(5-amino-2-methylpentan-2-yl)oxy-2,2-dimethylbutan-1-amine is CC(C)(CN)CCOC(C)(C)CCCN.
What is the InChIKey of 4-(5-amino-2-methylpentan-2-yl)oxy-2,2-dimethylbutan-1-amine?
The InChIKey is KKDBYFRETZNEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(2,10-14)7-9-15-12(3,4)6-5-8-13/h5-10,13-14H2,1-4H3.
What are the key properties of 4-(5-amino-2-methylpentan-2-yl)oxy-2,2-dimethylbutan-1-amine?
4-(5-amino-2-methylpentan-2-yl)oxy-2,2-dimethylbutan-1-amine has a molecular weight of 216.37 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-methylpentan-2-yl)oxy-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 142184060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).