4-(3-amino-2,3-dimethylbutoxy)-4-methylpentan-2-amine

C12H28N2O — CID 88562057

IUPAC4-(3-amino-2,3-dimethylbutoxy)-4-methylpentan-2-amine
SMILESCC(N)CC(C)(C)OCC(C)C(C)(C)N
InChIInChI=1S/C12H28N2O/c1-9(12(5,6)14)8-15-11(3,4)7-10(2)13/h9-10H,7-8,13-14H2,1-6H3
InChIKeyVVEMXSNUDLYKOT-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.89
Rot. Bonds6

About 4-(3-amino-2,3-dimethylbutoxy)-4-methylpentan-2-amine

4-(3-amino-2,3-dimethylbutoxy)-4-methylpentan-2-amine (PubChem CID 88562057) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 4-(3-amino-2,3-dimethylbutoxy)-4-methylpentan-2-amine.

Molecular Properties

Compound Name4-(3-amino-2,3-dimethylbutoxy)-4-methylpentan-2-amine
PubChem CID88562057
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name4-(3-amino-2,3-dimethylbutoxy)-4-methylpentan-2-amine
SMILESCC(N)CC(C)(C)OCC(C)C(C)(C)N
InChIInChI=1S/C12H28N2O/c1-9(12(5,6)14)8-15-11(3,4)7-10(2)13/h9-10H,7-8,13-14H2,1-6H3
InChIKeyVVEMXSNUDLYKOT-UHFFFAOYSA-N
XLogP1.89
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2,3-dimethylbutoxy)-4-methylpentan-2-amine?
The IUPAC name of 4-(3-amino-2,3-dimethylbutoxy)-4-methylpentan-2-amine (CID 88562057) is 4-(3-amino-2,3-dimethylbutoxy)-4-methylpentan-2-amine.
What is the SMILES notation for 4-(3-amino-2,3-dimethylbutoxy)-4-methylpentan-2-amine?
The canonical SMILES for 4-(3-amino-2,3-dimethylbutoxy)-4-methylpentan-2-amine is CC(N)CC(C)(C)OCC(C)C(C)(C)N.
What is the InChIKey of 4-(3-amino-2,3-dimethylbutoxy)-4-methylpentan-2-amine?
The InChIKey is VVEMXSNUDLYKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-9(12(5,6)14)8-15-11(3,4)7-10(2)13/h9-10H,7-8,13-14H2,1-6H3.
What are the key properties of 4-(3-amino-2,3-dimethylbutoxy)-4-methylpentan-2-amine?
4-(3-amino-2,3-dimethylbutoxy)-4-methylpentan-2-amine has a molecular weight of 216.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2,3-dimethylbutoxy)-4-methylpentan-2-amine is sourced from PubChem (CID 88562057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).