3-(aminomethyl)-3,4-dimethylheptan-4-ol

C10H23NO — CID 80560039

IUPAC3-(aminomethyl)-3,4-dimethylheptan-4-ol
SMILESCCCC(C)(O)C(C)(CC)CN
InChIInChI=1S/C10H23NO/c1-5-7-10(4,12)9(3,6-2)8-11/h12H,5-8,11H2,1-4H3
InChIKeyBEDFXRFNBPJSRS-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.91
Rot. Bonds5

About 3-(aminomethyl)-3,4-dimethylheptan-4-ol

3-(aminomethyl)-3,4-dimethylheptan-4-ol (PubChem CID 80560039) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-(aminomethyl)-3,4-dimethylheptan-4-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3,4-dimethylheptan-4-ol
PubChem CID80560039
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-(aminomethyl)-3,4-dimethylheptan-4-ol
SMILESCCCC(C)(O)C(C)(CC)CN
InChIInChI=1S/C10H23NO/c1-5-7-10(4,12)9(3,6-2)8-11/h12H,5-8,11H2,1-4H3
InChIKeyBEDFXRFNBPJSRS-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3,4-dimethylheptan-4-ol?
The IUPAC name of 3-(aminomethyl)-3,4-dimethylheptan-4-ol (CID 80560039) is 3-(aminomethyl)-3,4-dimethylheptan-4-ol.
What is the SMILES notation for 3-(aminomethyl)-3,4-dimethylheptan-4-ol?
The canonical SMILES for 3-(aminomethyl)-3,4-dimethylheptan-4-ol is CCCC(C)(O)C(C)(CC)CN.
What is the InChIKey of 3-(aminomethyl)-3,4-dimethylheptan-4-ol?
The InChIKey is BEDFXRFNBPJSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-7-10(4,12)9(3,6-2)8-11/h12H,5-8,11H2,1-4H3.
What are the key properties of 3-(aminomethyl)-3,4-dimethylheptan-4-ol?
3-(aminomethyl)-3,4-dimethylheptan-4-ol has a molecular weight of 173.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3,4-dimethylheptan-4-ol is sourced from PubChem (CID 80560039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).