4-amino-2-methylundecan-5-ol

C12H27NO — CID 72805371

IUPAC4-amino-2-methylundecan-5-ol
SMILESCCCCCCC(O)C(N)CC(C)C
InChIInChI=1S/C12H27NO/c1-4-5-6-7-8-12(14)11(13)9-10(2)3/h10-12,14H,4-9,13H2,1-3H3
InChIKeyOUZFVTFILNHMMF-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.69
Rot. Bonds8

About 4-amino-2-methylundecan-5-ol

4-amino-2-methylundecan-5-ol (PubChem CID 72805371) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-amino-2-methylundecan-5-ol.

Molecular Properties

Compound Name4-amino-2-methylundecan-5-ol
PubChem CID72805371
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-amino-2-methylundecan-5-ol
SMILESCCCCCCC(O)C(N)CC(C)C
InChIInChI=1S/C12H27NO/c1-4-5-6-7-8-12(14)11(13)9-10(2)3/h10-12,14H,4-9,13H2,1-3H3
InChIKeyOUZFVTFILNHMMF-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

(4S,5R)-4-amino-2-methyltetradecan-5-ol
CID 118735808
13-aminoheptacosan-12-ol
CID 118194809
(4S,5S)-4-aminotridecan-5-ol
CID 10584805
(2S)-2-aminopentadecane-1,3-diol
CID 71424335
2-aminopentadecane-1,3-diol
CID 56979816
(2S,3R)-2-aminodocosane-1,3-diol
CID 10247786
(2S,3S)-2-aminoundecan-3-ol
CID 132514193
2-aminotetradecan-3-ol
CID 10198494
(4R,5S)-4-aminodecane-1,2,5-triol
CID 101249167
1-aminooctadecane-1,2-diol
CID 54498715
16-methylheptadecane-7,8-diol
CID 118508542
(4R)-2-methyldecan-4-amine
CID 14572815

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylundecan-5-ol?
The IUPAC name of 4-amino-2-methylundecan-5-ol (CID 72805371) is 4-amino-2-methylundecan-5-ol.
What is the SMILES notation for 4-amino-2-methylundecan-5-ol?
The canonical SMILES for 4-amino-2-methylundecan-5-ol is CCCCCCC(O)C(N)CC(C)C.
What is the InChIKey of 4-amino-2-methylundecan-5-ol?
The InChIKey is OUZFVTFILNHMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-5-6-7-8-12(14)11(13)9-10(2)3/h10-12,14H,4-9,13H2,1-3H3.
What are the key properties of 4-amino-2-methylundecan-5-ol?
4-amino-2-methylundecan-5-ol has a molecular weight of 201.35 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylundecan-5-ol is sourced from PubChem (CID 72805371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).