2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxy-N-propan-2-ylbutan-2-amine

C16H36N2O — CID 134415363

IUPAC2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxy-N-propan-2-ylbutan-2-amine
SMILESCC(C)NCCC(C)(C)OCCC(C)(C)NC(C)C
InChIInChI=1S/C16H36N2O/c1-13(2)17-11-9-16(7,8)19-12-10-15(5,6)18-14(3)4/h13-14,17-18H,9-12H2,1-8H3
InChIKeyUWIUAORESAMTIR-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.34
Rot. Bonds10

About 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxy-N-propan-2-ylbutan-2-amine

2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxy-N-propan-2-ylbutan-2-amine (PubChem CID 134415363) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxy-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxy-N-propan-2-ylbutan-2-amine
PubChem CID134415363
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxy-N-propan-2-ylbutan-2-amine
SMILESCC(C)NCCC(C)(C)OCCC(C)(C)NC(C)C
InChIInChI=1S/C16H36N2O/c1-13(2)17-11-9-16(7,8)19-12-10-15(5,6)18-14(3)4/h13-14,17-18H,9-12H2,1-8H3
InChIKeyUWIUAORESAMTIR-UHFFFAOYSA-N
XLogP3.34
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxy-N-propan-2-ylbutan-2-amine?
The IUPAC name of 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxy-N-propan-2-ylbutan-2-amine (CID 134415363) is 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxy-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxy-N-propan-2-ylbutan-2-amine?
The canonical SMILES for 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxy-N-propan-2-ylbutan-2-amine is CC(C)NCCC(C)(C)OCCC(C)(C)NC(C)C.
What is the InChIKey of 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxy-N-propan-2-ylbutan-2-amine?
The InChIKey is UWIUAORESAMTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-13(2)17-11-9-16(7,8)19-12-10-15(5,6)18-14(3)4/h13-14,17-18H,9-12H2,1-8H3.
What are the key properties of 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxy-N-propan-2-ylbutan-2-amine?
2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxy-N-propan-2-ylbutan-2-amine has a molecular weight of 272.48 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxy-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 134415363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).