4-methyl-4-[2-(propan-2-ylamino)propoxy]pentan-2-amine

C12H28N2O — CID 138475373

IUPAC4-methyl-4-[2-(propan-2-ylamino)propoxy]pentan-2-amine
SMILESCC(N)CC(C)(C)OCC(C)NC(C)C
InChIInChI=1S/C12H28N2O/c1-9(2)14-11(4)8-15-12(5,6)7-10(3)13/h9-11,14H,7-8,13H2,1-6H3
InChIKeyFUURUTPVXBXVIL-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.91
Rot. Bonds7

About 4-methyl-4-[2-(propan-2-ylamino)propoxy]pentan-2-amine

4-methyl-4-[2-(propan-2-ylamino)propoxy]pentan-2-amine (PubChem CID 138475373) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 4-methyl-4-[2-(propan-2-ylamino)propoxy]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-4-[2-(propan-2-ylamino)propoxy]pentan-2-amine
PubChem CID138475373
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name4-methyl-4-[2-(propan-2-ylamino)propoxy]pentan-2-amine
SMILESCC(N)CC(C)(C)OCC(C)NC(C)C
InChIInChI=1S/C12H28N2O/c1-9(2)14-11(4)8-15-12(5,6)7-10(3)13/h9-11,14H,7-8,13H2,1-6H3
InChIKeyFUURUTPVXBXVIL-UHFFFAOYSA-N
XLogP1.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[2-(propan-2-ylamino)propoxy]pentan-2-amine?
The IUPAC name of 4-methyl-4-[2-(propan-2-ylamino)propoxy]pentan-2-amine (CID 138475373) is 4-methyl-4-[2-(propan-2-ylamino)propoxy]pentan-2-amine.
What is the SMILES notation for 4-methyl-4-[2-(propan-2-ylamino)propoxy]pentan-2-amine?
The canonical SMILES for 4-methyl-4-[2-(propan-2-ylamino)propoxy]pentan-2-amine is CC(N)CC(C)(C)OCC(C)NC(C)C.
What is the InChIKey of 4-methyl-4-[2-(propan-2-ylamino)propoxy]pentan-2-amine?
The InChIKey is FUURUTPVXBXVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-9(2)14-11(4)8-15-12(5,6)7-10(3)13/h9-11,14H,7-8,13H2,1-6H3.
What are the key properties of 4-methyl-4-[2-(propan-2-ylamino)propoxy]pentan-2-amine?
4-methyl-4-[2-(propan-2-ylamino)propoxy]pentan-2-amine has a molecular weight of 216.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[2-(propan-2-ylamino)propoxy]pentan-2-amine is sourced from PubChem (CID 138475373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).