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

C17H36N2O2 — CID 79912011

IUPAC3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyl-N-pentan-3-yloxolan-3-amine
SMILESCCC(CC)N(CCOC)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C17H36N2O2/c1-8-14(9-2)19(10-11-20-7)17(13-18)12-15(3,4)21-16(17,5)6/h14H,8-13,18H2,1-7H3
InChIKeyPHEFJXLXKHENAO-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.80
Rot. Bonds8

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

3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyl-N-pentan-3-yloxolan-3-amine (PubChem CID 79912011) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyl-N-pentan-3-yloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyl-N-pentan-3-yloxolan-3-amine
PubChem CID79912011
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyl-N-pentan-3-yloxolan-3-amine
SMILESCCC(CC)N(CCOC)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C17H36N2O2/c1-8-14(9-2)19(10-11-20-7)17(13-18)12-15(3,4)21-16(17,5)6/h14H,8-13,18H2,1-7H3
InChIKeyPHEFJXLXKHENAO-UHFFFAOYSA-N
XLogP2.80
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyl-N-pentan-3-yloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyl-N-pentan-3-yloxolan-3-amine (CID 79912011) is 3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyl-N-pentan-3-yloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyl-N-pentan-3-yloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyl-N-pentan-3-yloxolan-3-amine is CCC(CC)N(CCOC)C1(CN)CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyl-N-pentan-3-yloxolan-3-amine?
The InChIKey is PHEFJXLXKHENAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-8-14(9-2)19(10-11-20-7)17(13-18)12-15(3,4)21-16(17,5)6/h14H,8-13,18H2,1-7H3.
What are the key properties of 3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyl-N-pentan-3-yloxolan-3-amine?
3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyl-N-pentan-3-yloxolan-3-amine has a molecular weight of 300.49 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyl-N-pentan-3-yloxolan-3-amine is sourced from PubChem (CID 79912011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).