(E,2R)-2-aminododec-4-en-1-ol

C12H25NO — CID 139552020

IUPAC(E,2R)-2-aminododec-4-en-1-ol
SMILESCCCCCCC/C=C/C[C@@H](N)CO
InChIInChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-12(13)11-14/h8-9,12,14H,2-7,10-11,13H2,1H3/b9-8+/t12-/m1/s1
InChIKeyNJLZLPJIIWJOQC-IDVQTMNDSA-N
MW199.34 g/mol
LogP2.61
Rot. Bonds9

About (E,2R)-2-aminododec-4-en-1-ol

(E,2R)-2-aminododec-4-en-1-ol (PubChem CID 139552020) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (E,2R)-2-aminododec-4-en-1-ol.

Molecular Properties

Compound Name(E,2R)-2-aminododec-4-en-1-ol
PubChem CID139552020
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(E,2R)-2-aminododec-4-en-1-ol
SMILESCCCCCCC/C=C/C[C@@H](N)CO
InChIInChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-12(13)11-14/h8-9,12,14H,2-7,10-11,13H2,1H3/b9-8+/t12-/m1/s1
InChIKeyNJLZLPJIIWJOQC-IDVQTMNDSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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 (E,2R)-2-aminododec-4-en-1-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

(E)-dodec-4-en-2-amine
CID 55254669
heptatriaconta-6,28-dien-19-amine
CID 123539967
(E)-dec-4-ene-1,2-diol
CID 13288576
(E,2S,4R)-nonadec-6-ene-1,2,4-triol
CID 56590714
(2R,4R)-nonadec-6-ene-1,2,4-triol
CID 162937145
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(Z)-tricos-11-ene
CID 5356790

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-aminododec-4-en-1-ol?
The IUPAC name of (E,2R)-2-aminododec-4-en-1-ol (CID 139552020) is (E,2R)-2-aminododec-4-en-1-ol.
What is the SMILES notation for (E,2R)-2-aminododec-4-en-1-ol?
The canonical SMILES for (E,2R)-2-aminododec-4-en-1-ol is CCCCCCC/C=C/C[C@@H](N)CO.
What is the InChIKey of (E,2R)-2-aminododec-4-en-1-ol?
The InChIKey is NJLZLPJIIWJOQC-IDVQTMNDSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-12(13)11-14/h8-9,12,14H,2-7,10-11,13H2,1H3/b9-8+/t12-/m1/s1.
What are the key properties of (E,2R)-2-aminododec-4-en-1-ol?
(E,2R)-2-aminododec-4-en-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-aminododec-4-en-1-ol is sourced from PubChem (CID 139552020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).