5,6-dibutylhexadecan-5-amine;hydroiodide

C24H52IN — CID 173158056

IUPAC5,6-dibutylhexadecan-5-amine;hydroiodide
SMILESCCCCCCCCCCC(CCCC)C(N)(CCCC)CCCC.I
InChIInChI=1S/C24H51N.HI/c1-5-9-13-14-15-16-17-18-20-23(19-10-6-2)24(25,21-11-7-3)22-12-8-4;/h23H,5-22,25H2,1-4H3;1H
InChIKeyCHALLQFRDHIECE-UHFFFAOYSA-N
MW481.59 g/mol
LogP9.02
Rot. Bonds19

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

5,6-dibutylhexadecan-5-amine;hydroiodide (PubChem CID 173158056) has the molecular formula C24H52IN and a molecular weight of 481.59 g/mol. Its IUPAC name is 5,6-dibutylhexadecan-5-amine;hydroiodide.

Molecular Properties

Compound Name5,6-dibutylhexadecan-5-amine;hydroiodide
PubChem CID173158056
Molecular FormulaC24H52IN
Molecular Weight481.59 g/mol
Exact Mass481.31
IUPAC Name5,6-dibutylhexadecan-5-amine;hydroiodide
SMILESCCCCCCCCCCC(CCCC)C(N)(CCCC)CCCC.I
InChIInChI=1S/C24H51N.HI/c1-5-9-13-14-15-16-17-18-20-23(19-10-6-2)24(25,21-11-7-3)22-12-8-4;/h23H,5-22,25H2,1-4H3;1H
InChIKeyCHALLQFRDHIECE-UHFFFAOYSA-N
XLogP9.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.59
LogP ≤ 59.02
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-dibutylicosan-5-amine;hydroiodide
CID 173158305
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-dibutylhexadecan-5-amine;hydroiodide?
The IUPAC name of 5,6-dibutylhexadecan-5-amine;hydroiodide (CID 173158056) is 5,6-dibutylhexadecan-5-amine;hydroiodide.
What is the SMILES notation for 5,6-dibutylhexadecan-5-amine;hydroiodide?
The canonical SMILES for 5,6-dibutylhexadecan-5-amine;hydroiodide is CCCCCCCCCCC(CCCC)C(N)(CCCC)CCCC.I.
What is the InChIKey of 5,6-dibutylhexadecan-5-amine;hydroiodide?
The InChIKey is CHALLQFRDHIECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N.HI/c1-5-9-13-14-15-16-17-18-20-23(19-10-6-2)24(25,21-11-7-3)22-12-8-4;/h23H,5-22,25H2,1-4H3;1H.
What are the key properties of 5,6-dibutylhexadecan-5-amine;hydroiodide?
5,6-dibutylhexadecan-5-amine;hydroiodide has a molecular weight of 481.59 g/mol, XLogP of 9.02, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibutylhexadecan-5-amine;hydroiodide is sourced from PubChem (CID 173158056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).