4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine

C17H38N2O — CID 135299905

IUPAC4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine
SMILESCC(C)NC(C)CC(C)(C)OCC(C)C(C)NC(C)C
InChIInChI=1S/C17H38N2O/c1-12(2)18-15(6)10-17(8,9)20-11-14(5)16(7)19-13(3)4/h12-16,18-19H,10-11H2,1-9H3
InChIKeyRJXRDJMZDXRTFO-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.58
Rot. Bonds10

About 4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine

4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine (PubChem CID 135299905) has the molecular formula C17H38N2O and a molecular weight of 286.50 g/mol. Its IUPAC name is 4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine
PubChem CID135299905
Molecular FormulaC17H38N2O
Molecular Weight286.50 g/mol
Exact Mass286.30
IUPAC Name4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine
SMILESCC(C)NC(C)CC(C)(C)OCC(C)C(C)NC(C)C
InChIInChI=1S/C17H38N2O/c1-12(2)18-15(6)10-17(8,9)20-11-14(5)16(7)19-13(3)4/h12-16,18-19H,10-11H2,1-9H3
InChIKeyRJXRDJMZDXRTFO-UHFFFAOYSA-N
XLogP3.58
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.58
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-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine?
The IUPAC name of 4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine (CID 135299905) is 4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine.
What is the SMILES notation for 4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine?
The canonical SMILES for 4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine is CC(C)NC(C)CC(C)(C)OCC(C)C(C)NC(C)C.
What is the InChIKey of 4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine?
The InChIKey is RJXRDJMZDXRTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O/c1-12(2)18-15(6)10-17(8,9)20-11-14(5)16(7)19-13(3)4/h12-16,18-19H,10-11H2,1-9H3.
What are the key properties of 4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine?
4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine has a molecular weight of 286.50 g/mol, XLogP of 3.58, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine is sourced from PubChem (CID 135299905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).