2-(aminomethyl)-4-methoxy-2-(2-methoxyethyl)butan-1-ol

C9H21NO3 — CID 11651294

IUPAC2-(aminomethyl)-4-methoxy-2-(2-methoxyethyl)butan-1-ol
SMILESCOCCC(CN)(CO)CCOC
InChIInChI=1S/C9H21NO3/c1-12-5-3-9(7-10,8-11)4-6-13-2/h11H,3-8,10H2,1-2H3
InChIKeySSWSDVKKEYZKHA-UHFFFAOYSA-N
MW191.27 g/mol
LogP-0.00
Rot. Bonds8

About 2-(aminomethyl)-4-methoxy-2-(2-methoxyethyl)butan-1-ol

2-(aminomethyl)-4-methoxy-2-(2-methoxyethyl)butan-1-ol (PubChem CID 11651294) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methoxy-2-(2-methoxyethyl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-methoxy-2-(2-methoxyethyl)butan-1-ol
PubChem CID11651294
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name2-(aminomethyl)-4-methoxy-2-(2-methoxyethyl)butan-1-ol
SMILESCOCCC(CN)(CO)CCOC
InChIInChI=1S/C9H21NO3/c1-12-5-3-9(7-10,8-11)4-6-13-2/h11H,3-8,10H2,1-2H3
InChIKeySSWSDVKKEYZKHA-UHFFFAOYSA-N
XLogP-0.00
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methoxy-2-(2-methoxyethyl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-methoxy-2-(2-methoxyethyl)butan-1-ol (CID 11651294) is 2-(aminomethyl)-4-methoxy-2-(2-methoxyethyl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-methoxy-2-(2-methoxyethyl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-methoxy-2-(2-methoxyethyl)butan-1-ol is COCCC(CN)(CO)CCOC.
What is the InChIKey of 2-(aminomethyl)-4-methoxy-2-(2-methoxyethyl)butan-1-ol?
The InChIKey is SSWSDVKKEYZKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-12-5-3-9(7-10,8-11)4-6-13-2/h11H,3-8,10H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-methoxy-2-(2-methoxyethyl)butan-1-ol?
2-(aminomethyl)-4-methoxy-2-(2-methoxyethyl)butan-1-ol has a molecular weight of 191.27 g/mol, XLogP of -0.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methoxy-2-(2-methoxyethyl)butan-1-ol is sourced from PubChem (CID 11651294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).