3-[4-(dimethylamino)-2,3-dimethylbutan-2-yl]oxy-N,N,2,3-tetramethylbutan-1-amine

C16H36N2O — CID 87390515

IUPAC3-[4-(dimethylamino)-2,3-dimethylbutan-2-yl]oxy-N,N,2,3-tetramethylbutan-1-amine
SMILESCC(CN(C)C)C(C)(C)OC(C)(C)C(C)CN(C)C
InChIInChI=1S/C16H36N2O/c1-13(11-17(7)8)15(3,4)19-16(5,6)14(2)12-18(9)10/h13-14H,11-12H2,1-10H3
InChIKeyNCSMXSQYISHMPD-UHFFFAOYSA-N
MW272.48 g/mol
LogP2.96
Rot. Bonds8

About 3-[4-(dimethylamino)-2,3-dimethylbutan-2-yl]oxy-N,N,2,3-tetramethylbutan-1-amine

3-[4-(dimethylamino)-2,3-dimethylbutan-2-yl]oxy-N,N,2,3-tetramethylbutan-1-amine (PubChem CID 87390515) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-2,3-dimethylbutan-2-yl]oxy-N,N,2,3-tetramethylbutan-1-amine.

Molecular Properties

Compound Name3-[4-(dimethylamino)-2,3-dimethylbutan-2-yl]oxy-N,N,2,3-tetramethylbutan-1-amine
PubChem CID87390515
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name3-[4-(dimethylamino)-2,3-dimethylbutan-2-yl]oxy-N,N,2,3-tetramethylbutan-1-amine
SMILESCC(CN(C)C)C(C)(C)OC(C)(C)C(C)CN(C)C
InChIInChI=1S/C16H36N2O/c1-13(11-17(7)8)15(3,4)19-16(5,6)14(2)12-18(9)10/h13-14H,11-12H2,1-10H3
InChIKeyNCSMXSQYISHMPD-UHFFFAOYSA-N
XLogP2.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)-2,3-dimethylbutan-2-yl]oxy-N,N,2,3-tetramethylbutan-1-amine?
The IUPAC name of 3-[4-(dimethylamino)-2,3-dimethylbutan-2-yl]oxy-N,N,2,3-tetramethylbutan-1-amine (CID 87390515) is 3-[4-(dimethylamino)-2,3-dimethylbutan-2-yl]oxy-N,N,2,3-tetramethylbutan-1-amine.
What is the SMILES notation for 3-[4-(dimethylamino)-2,3-dimethylbutan-2-yl]oxy-N,N,2,3-tetramethylbutan-1-amine?
The canonical SMILES for 3-[4-(dimethylamino)-2,3-dimethylbutan-2-yl]oxy-N,N,2,3-tetramethylbutan-1-amine is CC(CN(C)C)C(C)(C)OC(C)(C)C(C)CN(C)C.
What is the InChIKey of 3-[4-(dimethylamino)-2,3-dimethylbutan-2-yl]oxy-N,N,2,3-tetramethylbutan-1-amine?
The InChIKey is NCSMXSQYISHMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-13(11-17(7)8)15(3,4)19-16(5,6)14(2)12-18(9)10/h13-14H,11-12H2,1-10H3.
What are the key properties of 3-[4-(dimethylamino)-2,3-dimethylbutan-2-yl]oxy-N,N,2,3-tetramethylbutan-1-amine?
3-[4-(dimethylamino)-2,3-dimethylbutan-2-yl]oxy-N,N,2,3-tetramethylbutan-1-amine has a molecular weight of 272.48 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)-2,3-dimethylbutan-2-yl]oxy-N,N,2,3-tetramethylbutan-1-amine is sourced from PubChem (CID 87390515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).