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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Related Compounds

(2R)-1-amino-2-methylpentan-2-ol
CID 51381277
4-(aminomethyl)-2,3,4-trimethylhexan-3-ol
CID 79127301
3-ethyl-2-fluoro-2,3-dimethylhexane
CID 155261680
2,3-dimethyl-2-propylpentane-1,3-diol
CID 54558043
2-fluoro-2-methylpentan-1-amine
CID 84716027
1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol
CID 150244186
3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol
CID 114835046
1-amino-2,3-dimethylnon-4-yne-2,3-diol
CID 141319209
2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide
CID 114169342
3-ethyl-2,3-dimethylpentan-2-ol
CID 53428948
ethane;3-ethyl-2,2,3-trimethylhexane;methane
CID 143664746
1-amino-2-methylbutan-2-ol;hydrochloride
CID 87715344

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).