N,2,2,5,5-pentamethyl-4-[[methyl(3-methylbutyl)amino]methyl]oxolan-3-amine

C16H34N2O — CID 79933572

IUPACN,2,2,5,5-pentamethyl-4-[[methyl(3-methylbutyl)amino]methyl]oxolan-3-amine
SMILESCNC1C(CN(C)CCC(C)C)C(C)(C)OC1(C)C
InChIInChI=1S/C16H34N2O/c1-12(2)9-10-18(8)11-13-14(17-7)16(5,6)19-15(13,3)4/h12-14,17H,9-11H2,1-8H3
InChIKeyATLQJHARGQLSSH-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds6

About N,2,2,5,5-pentamethyl-4-[[methyl(3-methylbutyl)amino]methyl]oxolan-3-amine

N,2,2,5,5-pentamethyl-4-[[methyl(3-methylbutyl)amino]methyl]oxolan-3-amine (PubChem CID 79933572) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N,2,2,5,5-pentamethyl-4-[[methyl(3-methylbutyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN,2,2,5,5-pentamethyl-4-[[methyl(3-methylbutyl)amino]methyl]oxolan-3-amine
PubChem CID79933572
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN,2,2,5,5-pentamethyl-4-[[methyl(3-methylbutyl)amino]methyl]oxolan-3-amine
SMILESCNC1C(CN(C)CCC(C)C)C(C)(C)OC1(C)C
InChIInChI=1S/C16H34N2O/c1-12(2)9-10-18(8)11-13-14(17-7)16(5,6)19-15(13,3)4/h12-14,17H,9-11H2,1-8H3
InChIKeyATLQJHARGQLSSH-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,2,5,5-pentamethyl-4-[[methyl(3-methylbutyl)amino]methyl]oxolan-3-amine?
The IUPAC name of N,2,2,5,5-pentamethyl-4-[[methyl(3-methylbutyl)amino]methyl]oxolan-3-amine (CID 79933572) is N,2,2,5,5-pentamethyl-4-[[methyl(3-methylbutyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for N,2,2,5,5-pentamethyl-4-[[methyl(3-methylbutyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for N,2,2,5,5-pentamethyl-4-[[methyl(3-methylbutyl)amino]methyl]oxolan-3-amine is CNC1C(CN(C)CCC(C)C)C(C)(C)OC1(C)C.
What is the InChIKey of N,2,2,5,5-pentamethyl-4-[[methyl(3-methylbutyl)amino]methyl]oxolan-3-amine?
The InChIKey is ATLQJHARGQLSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-12(2)9-10-18(8)11-13-14(17-7)16(5,6)19-15(13,3)4/h12-14,17H,9-11H2,1-8H3.
What are the key properties of N,2,2,5,5-pentamethyl-4-[[methyl(3-methylbutyl)amino]methyl]oxolan-3-amine?
N,2,2,5,5-pentamethyl-4-[[methyl(3-methylbutyl)amino]methyl]oxolan-3-amine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,5,5-pentamethyl-4-[[methyl(3-methylbutyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 79933572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).