8-heptyl-9-propylhexadecan-8-amine;hydroiodide

C26H56IN — CID 173157540

IUPAC8-heptyl-9-propylhexadecan-8-amine;hydroiodide
SMILESCCCCCCCC(CCC)C(N)(CCCCCCC)CCCCCCC.I
InChIInChI=1S/C26H55N.HI/c1-5-9-12-15-18-22-25(21-8-4)26(27,23-19-16-13-10-6-2)24-20-17-14-11-7-3;/h25H,5-24,27H2,1-4H3;1H
InChIKeyBDQDLWKDQOBLTE-UHFFFAOYSA-N
MW509.65 g/mol
LogP9.80
Rot. Bonds21

About 8-heptyl-9-propylhexadecan-8-amine;hydroiodide

8-heptyl-9-propylhexadecan-8-amine;hydroiodide (PubChem CID 173157540) has the molecular formula C26H56IN and a molecular weight of 509.65 g/mol. Its IUPAC name is 8-heptyl-9-propylhexadecan-8-amine;hydroiodide.

Molecular Properties

Compound Name8-heptyl-9-propylhexadecan-8-amine;hydroiodide
PubChem CID173157540
Molecular FormulaC26H56IN
Molecular Weight509.65 g/mol
Exact Mass509.35
IUPAC Name8-heptyl-9-propylhexadecan-8-amine;hydroiodide
SMILESCCCCCCCC(CCC)C(N)(CCCCCCC)CCCCCCC.I
InChIInChI=1S/C26H55N.HI/c1-5-9-12-15-18-22-25(21-8-4)26(27,23-19-16-13-10-6-2)24-20-17-14-11-7-3;/h25H,5-24,27H2,1-4H3;1H
InChIKeyBDQDLWKDQOBLTE-UHFFFAOYSA-N
XLogP9.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 59.80
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-butyl-6-propylheptadecan-5-amine
CID 22597070
8,9-diheptylhenicosan-8-amine
CID 87777524
9-octyl-10-pentyloctadecan-9-amine
CID 87446758
8,9-diheptylhenicosan-8-amine;hydrochloride
CID 173157865
8,9-diheptyltricosan-8-amine;hydrobromide
CID 173158343
7,8-dihexylicosan-7-amine;hydrobromide
CID 173041411
7,8-dihexylheptadecan-7-amine;hydrobromide
CID 173157793
5,6-dibutylicosan-5-amine;hydroiodide
CID 173158305
5,6-dibutylhexadecan-5-amine;hydroiodide
CID 173158056
4,5-dipropylpentadecan-4-amine;hydrobromide
CID 175052572
5,6-dibutyldocosan-5-amine;hydrobromide
CID 173159826
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 8-heptyl-9-propylhexadecan-8-amine;hydroiodide?
The IUPAC name of 8-heptyl-9-propylhexadecan-8-amine;hydroiodide (CID 173157540) is 8-heptyl-9-propylhexadecan-8-amine;hydroiodide.
What is the SMILES notation for 8-heptyl-9-propylhexadecan-8-amine;hydroiodide?
The canonical SMILES for 8-heptyl-9-propylhexadecan-8-amine;hydroiodide is CCCCCCCC(CCC)C(N)(CCCCCCC)CCCCCCC.I.
What is the InChIKey of 8-heptyl-9-propylhexadecan-8-amine;hydroiodide?
The InChIKey is BDQDLWKDQOBLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55N.HI/c1-5-9-12-15-18-22-25(21-8-4)26(27,23-19-16-13-10-6-2)24-20-17-14-11-7-3;/h25H,5-24,27H2,1-4H3;1H.
What are the key properties of 8-heptyl-9-propylhexadecan-8-amine;hydroiodide?
8-heptyl-9-propylhexadecan-8-amine;hydroiodide has a molecular weight of 509.65 g/mol, XLogP of 9.80, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-heptyl-9-propylhexadecan-8-amine;hydroiodide is sourced from PubChem (CID 173157540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).