3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2-methylpropyl)-N-pentan-3-yloxolan-3-amine

C18H38N2O — CID 79911399

IUPAC3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2-methylpropyl)-N-pentan-3-yloxolan-3-amine
SMILESCCC(CC)N(CC(C)C)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C18H38N2O/c1-9-15(10-2)20(11-14(3)4)18(13-19)12-16(5,6)21-17(18,7)8/h14-15H,9-13,19H2,1-8H3
InChIKeyJOTXMXZIMYMCNY-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.81
Rot. Bonds7

About 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2-methylpropyl)-N-pentan-3-yloxolan-3-amine

3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2-methylpropyl)-N-pentan-3-yloxolan-3-amine (PubChem CID 79911399) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2-methylpropyl)-N-pentan-3-yloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2-methylpropyl)-N-pentan-3-yloxolan-3-amine
PubChem CID79911399
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2-methylpropyl)-N-pentan-3-yloxolan-3-amine
SMILESCCC(CC)N(CC(C)C)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C18H38N2O/c1-9-15(10-2)20(11-14(3)4)18(13-19)12-16(5,6)21-17(18,7)8/h14-15H,9-13,19H2,1-8H3
InChIKeyJOTXMXZIMYMCNY-UHFFFAOYSA-N
XLogP3.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2-methylpropyl)-N-pentan-3-yloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2-methylpropyl)-N-pentan-3-yloxolan-3-amine (CID 79911399) is 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2-methylpropyl)-N-pentan-3-yloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2-methylpropyl)-N-pentan-3-yloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2-methylpropyl)-N-pentan-3-yloxolan-3-amine is CCC(CC)N(CC(C)C)C1(CN)CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2-methylpropyl)-N-pentan-3-yloxolan-3-amine?
The InChIKey is JOTXMXZIMYMCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-9-15(10-2)20(11-14(3)4)18(13-19)12-16(5,6)21-17(18,7)8/h14-15H,9-13,19H2,1-8H3.
What are the key properties of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2-methylpropyl)-N-pentan-3-yloxolan-3-amine?
3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2-methylpropyl)-N-pentan-3-yloxolan-3-amine has a molecular weight of 298.51 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,2,5,5-tetramethyl-N-(2-methylpropyl)-N-pentan-3-yloxolan-3-amine is sourced from PubChem (CID 79911399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).