(E,2R)-1-aminotridec-5-en-2-ol

C13H27NO — CID 10262643

IUPAC(E,2R)-1-aminotridec-5-en-2-ol
SMILESCCCCCCC/C=C/CC[C@@H](O)CN
InChIInChI=1S/C13H27NO/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h8-9,13,15H,2-7,10-12,14H2,1H3/b9-8+/t13-/m1/s1
InChIKeyDWDAHMXGVSCAHG-MMQHEFTJSA-N
MW213.36 g/mol
LogP3.00
Rot. Bonds10

About (E,2R)-1-aminotridec-5-en-2-ol

(E,2R)-1-aminotridec-5-en-2-ol (PubChem CID 10262643) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (E,2R)-1-aminotridec-5-en-2-ol.

Molecular Properties

Compound Name(E,2R)-1-aminotridec-5-en-2-ol
PubChem CID10262643
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(E,2R)-1-aminotridec-5-en-2-ol
SMILESCCCCCCC/C=C/CC[C@@H](O)CN
InChIInChI=1S/C13H27NO/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h8-9,13,15H,2-7,10-12,14H2,1H3/b9-8+/t13-/m1/s1
InChIKeyDWDAHMXGVSCAHG-MMQHEFTJSA-N
XLogP3.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.00
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'}

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Related Compounds

Halaminol A
CID 10059639
Clavaminol B
CID 44424869
Xetoaminol A
CID 14756402
Halaminol B
CID 10013009
Halaminol C
CID 11775924
(Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol
CID 10562206
(2S,3S,5E,9Z)-2-aminohexadeca-5,9-dien-3-ol
CID 71770473
(2S,3R,11E)-2-aminotetradeca-11,13-dien-3-ol
CID 14756406
(Z,2R,3R)-2-aminohenicos-12-ene-1,3-diol
CID 146311960
(E)-2-aminooctadec-8-ene-1,3-diol
CID 14135864
(E,2S,3S)-2-amino-3-fluorododec-4-en-1-ol
CID 15486072
(2S,3S,5Z)-2-aminotetradeca-5,13-dien-3-ol
CID 46937367

Frequently Asked Questions

What is the IUPAC name of (E,2R)-1-aminotridec-5-en-2-ol?
The IUPAC name of (E,2R)-1-aminotridec-5-en-2-ol (CID 10262643) is (E,2R)-1-aminotridec-5-en-2-ol.
What is the SMILES notation for (E,2R)-1-aminotridec-5-en-2-ol?
The canonical SMILES for (E,2R)-1-aminotridec-5-en-2-ol is CCCCCCC/C=C/CC[C@@H](O)CN.
What is the InChIKey of (E,2R)-1-aminotridec-5-en-2-ol?
The InChIKey is DWDAHMXGVSCAHG-MMQHEFTJSA-N. The full InChI is InChI=1S/C13H27NO/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h8-9,13,15H,2-7,10-12,14H2,1H3/b9-8+/t13-/m1/s1.
What are the key properties of (E,2R)-1-aminotridec-5-en-2-ol?
(E,2R)-1-aminotridec-5-en-2-ol has a molecular weight of 213.36 g/mol, XLogP of 3.00, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-1-aminotridec-5-en-2-ol is sourced from PubChem (CID 10262643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).