3-(aminomethyl)-3-methylundecan-4-ol

C13H29NO — CID 79137732

IUPAC3-(aminomethyl)-3-methylundecan-4-ol
SMILESCCCCCCCC(O)C(C)(CC)CN
InChIInChI=1S/C13H29NO/c1-4-6-7-8-9-10-12(15)13(3,5-2)11-14/h12,15H,4-11,14H2,1-3H3
InChIKeyVCWFXBXQAGILLV-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.08
Rot. Bonds9

About 3-(aminomethyl)-3-methylundecan-4-ol

3-(aminomethyl)-3-methylundecan-4-ol (PubChem CID 79137732) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-(aminomethyl)-3-methylundecan-4-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3-methylundecan-4-ol
PubChem CID79137732
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name3-(aminomethyl)-3-methylundecan-4-ol
SMILESCCCCCCCC(O)C(C)(CC)CN
InChIInChI=1S/C13H29NO/c1-4-6-7-8-9-10-12(15)13(3,5-2)11-14/h12,15H,4-11,14H2,1-3H3
InChIKeyVCWFXBXQAGILLV-UHFFFAOYSA-N
XLogP3.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-3-methylnonan-4-ol
CID 79137941
3-methyldodecane-3,4-diol
CID 103448703
2-methyldodecane-2,3-diol
CID 90439854
2-methylheptadecane-2,3-diol
CID 90439823
3,3-diethyldecan-4-ol
CID 150278197
3-aminohenicosane-3,4-diol
CID 87769820
15,15-bis(1-hydroxytetradecyl)nonacosane-14,16-diol
CID 158728411
3-(diethylamino)-3-methylundecan-4-ol
CID 79064620
2-(diethylamino)-2-methyldecan-3-ol
CID 79053549
3-(dimethylamino)-3-methyltetradecan-4-ol
CID 79064165
(2R)-1,1,1-trifluoroundecan-2-ol
CID 2779105
3-ethyl-3,8,8-trimethylnonan-4-ol
CID 156689455

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-methylundecan-4-ol?
The IUPAC name of 3-(aminomethyl)-3-methylundecan-4-ol (CID 79137732) is 3-(aminomethyl)-3-methylundecan-4-ol.
What is the SMILES notation for 3-(aminomethyl)-3-methylundecan-4-ol?
The canonical SMILES for 3-(aminomethyl)-3-methylundecan-4-ol is CCCCCCCC(O)C(C)(CC)CN.
What is the InChIKey of 3-(aminomethyl)-3-methylundecan-4-ol?
The InChIKey is VCWFXBXQAGILLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-4-6-7-8-9-10-12(15)13(3,5-2)11-14/h12,15H,4-11,14H2,1-3H3.
What are the key properties of 3-(aminomethyl)-3-methylundecan-4-ol?
3-(aminomethyl)-3-methylundecan-4-ol has a molecular weight of 215.38 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-methylundecan-4-ol is sourced from PubChem (CID 79137732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).