3-(1-aminopropan-2-yloxy)-2,3,4,4-tetramethylpentan-2-amine

C12H28N2O — CID 87977919

IUPAC3-(1-aminopropan-2-yloxy)-2,3,4,4-tetramethylpentan-2-amine
SMILESCC(CN)OC(C)(C(C)(C)C)C(C)(C)N
InChIInChI=1S/C12H28N2O/c1-9(8-13)15-12(7,10(2,3)4)11(5,6)14/h9H,8,13-14H2,1-7H3
InChIKeyXKMHHXVCBJLXKQ-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.89
Rot. Bonds4

About 3-(1-aminopropan-2-yloxy)-2,3,4,4-tetramethylpentan-2-amine

3-(1-aminopropan-2-yloxy)-2,3,4,4-tetramethylpentan-2-amine (PubChem CID 87977919) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-(1-aminopropan-2-yloxy)-2,3,4,4-tetramethylpentan-2-amine.

Molecular Properties

Compound Name3-(1-aminopropan-2-yloxy)-2,3,4,4-tetramethylpentan-2-amine
PubChem CID87977919
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name3-(1-aminopropan-2-yloxy)-2,3,4,4-tetramethylpentan-2-amine
SMILESCC(CN)OC(C)(C(C)(C)C)C(C)(C)N
InChIInChI=1S/C12H28N2O/c1-9(8-13)15-12(7,10(2,3)4)11(5,6)14/h9H,8,13-14H2,1-7H3
InChIKeyXKMHHXVCBJLXKQ-UHFFFAOYSA-N
XLogP1.89
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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 3-(1-aminopropan-2-yloxy)-2,3,4,4-tetramethylpentan-2-amine?
The IUPAC name of 3-(1-aminopropan-2-yloxy)-2,3,4,4-tetramethylpentan-2-amine (CID 87977919) is 3-(1-aminopropan-2-yloxy)-2,3,4,4-tetramethylpentan-2-amine.
What is the SMILES notation for 3-(1-aminopropan-2-yloxy)-2,3,4,4-tetramethylpentan-2-amine?
The canonical SMILES for 3-(1-aminopropan-2-yloxy)-2,3,4,4-tetramethylpentan-2-amine is CC(CN)OC(C)(C(C)(C)C)C(C)(C)N.
What is the InChIKey of 3-(1-aminopropan-2-yloxy)-2,3,4,4-tetramethylpentan-2-amine?
The InChIKey is XKMHHXVCBJLXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-9(8-13)15-12(7,10(2,3)4)11(5,6)14/h9H,8,13-14H2,1-7H3.
What are the key properties of 3-(1-aminopropan-2-yloxy)-2,3,4,4-tetramethylpentan-2-amine?
3-(1-aminopropan-2-yloxy)-2,3,4,4-tetramethylpentan-2-amine has a molecular weight of 216.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-yloxy)-2,3,4,4-tetramethylpentan-2-amine is sourced from PubChem (CID 87977919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).