3-(aminomethyl)-2,2,4,4-tetramethylpentan-3-ol

C10H23NO — CID 58680714

IUPAC3-(aminomethyl)-2,2,4,4-tetramethylpentan-3-ol
SMILESCC(C)(C)C(O)(CN)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-8(2,3)10(12,7-11)9(4,5)6/h12H,7,11H2,1-6H3
InChIKeyABIAWRJNWUVABY-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.77
Rot. Bonds1

About 3-(aminomethyl)-2,2,4,4-tetramethylpentan-3-ol

3-(aminomethyl)-2,2,4,4-tetramethylpentan-3-ol (PubChem CID 58680714) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-(aminomethyl)-2,2,4,4-tetramethylpentan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-2,2,4,4-tetramethylpentan-3-ol
PubChem CID58680714
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-(aminomethyl)-2,2,4,4-tetramethylpentan-3-ol
SMILESCC(C)(C)C(O)(CN)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-8(2,3)10(12,7-11)9(4,5)6/h12H,7,11H2,1-6H3
InChIKeyABIAWRJNWUVABY-UHFFFAOYSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,2,4,4-tetramethylpentan-3-ol?
The IUPAC name of 3-(aminomethyl)-2,2,4,4-tetramethylpentan-3-ol (CID 58680714) is 3-(aminomethyl)-2,2,4,4-tetramethylpentan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-2,2,4,4-tetramethylpentan-3-ol?
The canonical SMILES for 3-(aminomethyl)-2,2,4,4-tetramethylpentan-3-ol is CC(C)(C)C(O)(CN)C(C)(C)C.
What is the InChIKey of 3-(aminomethyl)-2,2,4,4-tetramethylpentan-3-ol?
The InChIKey is ABIAWRJNWUVABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-8(2,3)10(12,7-11)9(4,5)6/h12H,7,11H2,1-6H3.
What are the key properties of 3-(aminomethyl)-2,2,4,4-tetramethylpentan-3-ol?
3-(aminomethyl)-2,2,4,4-tetramethylpentan-3-ol has a molecular weight of 173.30 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,2,4,4-tetramethylpentan-3-ol is sourced from PubChem (CID 58680714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).