4-(aminomethyl)undecan-5-ol

C12H27NO — CID 79416345

IUPAC4-(aminomethyl)undecan-5-ol
SMILESCCCCCCC(O)C(CN)CCC
InChIInChI=1S/C12H27NO/c1-3-5-6-7-9-12(14)11(10-13)8-4-2/h11-12,14H,3-10,13H2,1-2H3
InChIKeyYCVWMEJEPRUHJU-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.69
Rot. Bonds9

About 4-(aminomethyl)undecan-5-ol

4-(aminomethyl)undecan-5-ol (PubChem CID 79416345) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-(aminomethyl)undecan-5-ol.

Molecular Properties

Compound Name4-(aminomethyl)undecan-5-ol
PubChem CID79416345
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-(aminomethyl)undecan-5-ol
SMILESCCCCCCC(O)C(CN)CCC
InChIInChI=1S/C12H27NO/c1-3-5-6-7-9-12(14)11(10-13)8-4-2/h11-12,14H,3-10,13H2,1-2H3
InChIKeyYCVWMEJEPRUHJU-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.69
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

pentadecane-4,5-diol
CID 103454846
nonacosane-14,15-diol
CID 91509633
7-ethylpentadecan-8-ol
CID 91407819
6-ethyloctadecan-7-ol
CID 22321194
5-butylundecan-6-ol
CID 89253058
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
(4S,5S)-4-aminotridecan-5-ol
CID 10584805
1-aminooctadecane-1,2-diol
CID 54498715
3-(aminomethyl)heptan-4-ol
CID 54499673
(2R)-1-aminooctan-2-ol
CID 13476237
1-aminohenicosan-2-ol
CID 88605177
(2S,3R)-3-propylnonane-1,2-diol
CID 132503720

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)undecan-5-ol?
The IUPAC name of 4-(aminomethyl)undecan-5-ol (CID 79416345) is 4-(aminomethyl)undecan-5-ol.
What is the SMILES notation for 4-(aminomethyl)undecan-5-ol?
The canonical SMILES for 4-(aminomethyl)undecan-5-ol is CCCCCCC(O)C(CN)CCC.
What is the InChIKey of 4-(aminomethyl)undecan-5-ol?
The InChIKey is YCVWMEJEPRUHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-3-5-6-7-9-12(14)11(10-13)8-4-2/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of 4-(aminomethyl)undecan-5-ol?
4-(aminomethyl)undecan-5-ol has a molecular weight of 201.35 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)undecan-5-ol is sourced from PubChem (CID 79416345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).