5,6-dibutylicosan-5-amine;hydroiodide

C28H60IN — CID 173158305

IUPAC5,6-dibutylicosan-5-amine;hydroiodide
SMILESCCCCCCCCCCCCCCC(CCCC)C(N)(CCCC)CCCC.I
InChIInChI=1S/C28H59N.HI/c1-5-9-13-14-15-16-17-18-19-20-21-22-24-27(23-10-6-2)28(29,25-11-7-3)26-12-8-4;/h27H,5-26,29H2,1-4H3;1H
InChIKeySZORDZYUAASLEV-UHFFFAOYSA-N
MW537.70 g/mol
LogP10.58
Rot. Bonds23

About 5,6-dibutylicosan-5-amine;hydroiodide

5,6-dibutylicosan-5-amine;hydroiodide (PubChem CID 173158305) has the molecular formula C28H60IN and a molecular weight of 537.70 g/mol. Its IUPAC name is 5,6-dibutylicosan-5-amine;hydroiodide.

Molecular Properties

Compound Name5,6-dibutylicosan-5-amine;hydroiodide
PubChem CID173158305
Molecular FormulaC28H60IN
Molecular Weight537.70 g/mol
Exact Mass537.38
IUPAC Name5,6-dibutylicosan-5-amine;hydroiodide
SMILESCCCCCCCCCCCCCCC(CCCC)C(N)(CCCC)CCCC.I
InChIInChI=1S/C28H59N.HI/c1-5-9-13-14-15-16-17-18-19-20-21-22-24-27(23-10-6-2)28(29,25-11-7-3)26-12-8-4;/h27H,5-26,29H2,1-4H3;1H
InChIKeySZORDZYUAASLEV-UHFFFAOYSA-N
XLogP10.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.70
LogP ≤ 510.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,6-dibutylhexadecan-5-amine;hydroiodide
CID 173158056
5,6-dibutyldocosan-5-amine;hydrobromide
CID 173159826
5-butyl-6-propylheptadecan-5-amine
CID 22597070
8,9-diheptylhenicosan-8-amine
CID 87777524
9-octyl-10-pentyloctadecan-9-amine
CID 87446758
8-heptyl-9-propylhexadecan-8-amine;hydroiodide
CID 173157540
8,9-diheptyltricosan-8-amine;hydrobromide
CID 173158343
8,9-diheptylhenicosan-8-amine;hydrochloride
CID 173157865
7,8-dihexylicosan-7-amine;hydrobromide
CID 173041411
7,8-dihexylheptadecan-7-amine;hydrobromide
CID 173157793
4,5-dipropylpentadecan-4-amine;hydrobromide
CID 175052572
5-butyl-6-prop-2-enylhenicosan-5-amine;5-butyl-6-prop-2-enylicosan-5-amine
CID 87990081

Frequently Asked Questions

What is the IUPAC name of 5,6-dibutylicosan-5-amine;hydroiodide?
The IUPAC name of 5,6-dibutylicosan-5-amine;hydroiodide (CID 173158305) is 5,6-dibutylicosan-5-amine;hydroiodide.
What is the SMILES notation for 5,6-dibutylicosan-5-amine;hydroiodide?
The canonical SMILES for 5,6-dibutylicosan-5-amine;hydroiodide is CCCCCCCCCCCCCCC(CCCC)C(N)(CCCC)CCCC.I.
What is the InChIKey of 5,6-dibutylicosan-5-amine;hydroiodide?
The InChIKey is SZORDZYUAASLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59N.HI/c1-5-9-13-14-15-16-17-18-19-20-21-22-24-27(23-10-6-2)28(29,25-11-7-3)26-12-8-4;/h27H,5-26,29H2,1-4H3;1H.
What are the key properties of 5,6-dibutylicosan-5-amine;hydroiodide?
5,6-dibutylicosan-5-amine;hydroiodide has a molecular weight of 537.70 g/mol, XLogP of 10.58, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibutylicosan-5-amine;hydroiodide is sourced from PubChem (CID 173158305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).