2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol

C9H21NO2 — CID 106506251

IUPAC2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol
SMILESCC(C)OCCC(C)(CN)CO
InChIInChI=1S/C9H21NO2/c1-8(2)12-5-4-9(3,6-10)7-11/h8,11H,4-7,10H2,1-3H3
InChIKeyBDGGXVXNGZEFSR-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.76
Rot. Bonds6

About 2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol

2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol (PubChem CID 106506251) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol
PubChem CID106506251
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol
SMILESCC(C)OCCC(C)(CN)CO
InChIInChI=1S/C9H21NO2/c1-8(2)12-5-4-9(3,6-10)7-11/h8,11H,4-7,10H2,1-3H3
InChIKeyBDGGXVXNGZEFSR-UHFFFAOYSA-N
XLogP0.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol (CID 106506251) is 2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol is CC(C)OCCC(C)(CN)CO.
What is the InChIKey of 2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol?
The InChIKey is BDGGXVXNGZEFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-8(2)12-5-4-9(3,6-10)7-11/h8,11H,4-7,10H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol?
2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol is sourced from PubChem (CID 106506251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).