2-aminododec-8-en-3-ol

C12H25NO — CID 162954272

IUPAC2-aminododec-8-en-3-ol
SMILESCCCC=CCCCCC(O)C(C)N
InChIInChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h5-6,11-12,14H,3-4,7-10,13H2,1-2H3
InChIKeyALEPIEAQGFDQEN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.61
Rot. Bonds8

About 2-aminododec-8-en-3-ol

2-aminododec-8-en-3-ol (PubChem CID 162954272) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-aminododec-8-en-3-ol.

Molecular Properties

Compound Name2-aminododec-8-en-3-ol
PubChem CID162954272
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-aminododec-8-en-3-ol
SMILESCCCC=CCCCCC(O)C(C)N
InChIInChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h5-6,11-12,14H,3-4,7-10,13H2,1-2H3
InChIKeyALEPIEAQGFDQEN-UHFFFAOYSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-aminododec-8-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Halaminol A
CID 10059639
Clavaminol B
CID 44424869
Xetoaminol A
CID 14756402
Leucettamol A
CID 9984898
Dehydrophytosphingosine (not validated, isomer of 1677)
CID 14757419
Halaminol B
CID 10013009
Halaminol C
CID 11775924
(Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol
CID 10562206
(2R,3S,5Z,8Z,11Z,14Z,17Z,20Z,28S,29R)-2,29-diaminotriaconta-5,8,11,14,17,20-hexaene-3,28-diol
CID 44570361
Dehydrophytosphingosine
CID 14757418
C14 Sphingosine
CID 42608342
(2S,3S,5E,9Z)-2-aminohexadeca-5,9-dien-3-ol
CID 71770473

Frequently Asked Questions

What is the IUPAC name of 2-aminododec-8-en-3-ol?
The IUPAC name of 2-aminododec-8-en-3-ol (CID 162954272) is 2-aminododec-8-en-3-ol.
What is the SMILES notation for 2-aminododec-8-en-3-ol?
The canonical SMILES for 2-aminododec-8-en-3-ol is CCCC=CCCCCC(O)C(C)N.
What is the InChIKey of 2-aminododec-8-en-3-ol?
The InChIKey is ALEPIEAQGFDQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h5-6,11-12,14H,3-4,7-10,13H2,1-2H3.
What are the key properties of 2-aminododec-8-en-3-ol?
2-aminododec-8-en-3-ol has a molecular weight of 199.34 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminododec-8-en-3-ol is sourced from PubChem (CID 162954272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).