2-(aminomethyl)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-1-ol

C12H27NO2 — CID 106507565

IUPAC2-(aminomethyl)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-1-ol
SMILESCC(C)C(CN)(CO)CCOC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-10(2)12(8-13,9-14)6-7-15-11(3,4)5/h10,14H,6-9,13H2,1-5H3
InChIKeyNDJWRMLYEIDBRI-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.78
Rot. Bonds6

About 2-(aminomethyl)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-1-ol

2-(aminomethyl)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-1-ol (PubChem CID 106507565) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-1-ol
PubChem CID106507565
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-(aminomethyl)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-1-ol
SMILESCC(C)C(CN)(CO)CCOC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-10(2)12(8-13,9-14)6-7-15-11(3,4)5/h10,14H,6-9,13H2,1-5H3
InChIKeyNDJWRMLYEIDBRI-UHFFFAOYSA-N
XLogP1.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-1-ol (CID 106507565) is 2-(aminomethyl)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-1-ol is CC(C)C(CN)(CO)CCOC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-1-ol?
The InChIKey is NDJWRMLYEIDBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-10(2)12(8-13,9-14)6-7-15-11(3,4)5/h10,14H,6-9,13H2,1-5H3.
What are the key properties of 2-(aminomethyl)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-1-ol?
2-(aminomethyl)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-1-ol has a molecular weight of 217.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-1-ol is sourced from PubChem (CID 106507565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).