1-(4-amino-2-methylpentan-2-yl)oxy-2,3-dimethylpentan-3-amine

C13H30N2O — CID 118492052

IUPAC1-(4-amino-2-methylpentan-2-yl)oxy-2,3-dimethylpentan-3-amine
SMILESCCC(C)(N)C(C)COC(C)(C)CC(C)N
InChIInChI=1S/C13H30N2O/c1-7-13(6,15)10(2)9-16-12(4,5)8-11(3)14/h10-11H,7-9,14-15H2,1-6H3
InChIKeyKDOWRJPYMUKUEC-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.28
Rot. Bonds7

About 1-(4-amino-2-methylpentan-2-yl)oxy-2,3-dimethylpentan-3-amine

1-(4-amino-2-methylpentan-2-yl)oxy-2,3-dimethylpentan-3-amine (PubChem CID 118492052) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-(4-amino-2-methylpentan-2-yl)oxy-2,3-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(4-amino-2-methylpentan-2-yl)oxy-2,3-dimethylpentan-3-amine
PubChem CID118492052
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name1-(4-amino-2-methylpentan-2-yl)oxy-2,3-dimethylpentan-3-amine
SMILESCCC(C)(N)C(C)COC(C)(C)CC(C)N
InChIInChI=1S/C13H30N2O/c1-7-13(6,15)10(2)9-16-12(4,5)8-11(3)14/h10-11H,7-9,14-15H2,1-6H3
InChIKeyKDOWRJPYMUKUEC-UHFFFAOYSA-N
XLogP2.28
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylpentan-2-yl)oxy-2,3-dimethylpentan-3-amine?
The IUPAC name of 1-(4-amino-2-methylpentan-2-yl)oxy-2,3-dimethylpentan-3-amine (CID 118492052) is 1-(4-amino-2-methylpentan-2-yl)oxy-2,3-dimethylpentan-3-amine.
What is the SMILES notation for 1-(4-amino-2-methylpentan-2-yl)oxy-2,3-dimethylpentan-3-amine?
The canonical SMILES for 1-(4-amino-2-methylpentan-2-yl)oxy-2,3-dimethylpentan-3-amine is CCC(C)(N)C(C)COC(C)(C)CC(C)N.
What is the InChIKey of 1-(4-amino-2-methylpentan-2-yl)oxy-2,3-dimethylpentan-3-amine?
The InChIKey is KDOWRJPYMUKUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-7-13(6,15)10(2)9-16-12(4,5)8-11(3)14/h10-11H,7-9,14-15H2,1-6H3.
What are the key properties of 1-(4-amino-2-methylpentan-2-yl)oxy-2,3-dimethylpentan-3-amine?
1-(4-amino-2-methylpentan-2-yl)oxy-2,3-dimethylpentan-3-amine has a molecular weight of 230.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylpentan-2-yl)oxy-2,3-dimethylpentan-3-amine is sourced from PubChem (CID 118492052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).