10-nonylnonadecan-10-amine;hydroiodide

C28H60IN — CID 173404185

IUPAC10-nonylnonadecan-10-amine;hydroiodide
SMILESCCCCCCCCCC(N)(CCCCCCCCC)CCCCCCCCC.I
InChIInChI=1S/C28H59N.HI/c1-4-7-10-13-16-19-22-25-28(29,26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3;/h4-27,29H2,1-3H3;1H
InChIKeyGCICZYIQCIDFIR-UHFFFAOYSA-N
MW537.70 g/mol
LogP10.72
Rot. Bonds24

About 10-nonylnonadecan-10-amine;hydroiodide

10-nonylnonadecan-10-amine;hydroiodide (PubChem CID 173404185) has the molecular formula C28H60IN and a molecular weight of 537.70 g/mol. Its IUPAC name is 10-nonylnonadecan-10-amine;hydroiodide.

Molecular Properties

Compound Name10-nonylnonadecan-10-amine;hydroiodide
PubChem CID173404185
Molecular FormulaC28H60IN
Molecular Weight537.70 g/mol
Exact Mass537.38
IUPAC Name10-nonylnonadecan-10-amine;hydroiodide
SMILESCCCCCCCCCC(N)(CCCCCCCCC)CCCCCCCCC.I
InChIInChI=1S/C28H59N.HI/c1-4-7-10-13-16-19-22-25-28(29,26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3;/h4-27,29H2,1-3H3;1H
InChIKeyGCICZYIQCIDFIR-UHFFFAOYSA-N
XLogP10.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.70
LogP ≤ 510.72
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

11-decylhenicosan-11-amine
CID 19847882
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
5-butylhexadecan-5-amine
CID 22244897
12-undecyltricosan-12-amine;hydrate
CID 173445536
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860
4-propylundecan-4-amine
CID 166728969
4-propylpentadecan-4-amine
CID 22244918
4-pentadecylheptane-1,4,7-triamine
CID 156536321
3-ethylnonadecan-3-amine
CID 19028625
3-ethyltetracosan-3-amine;hydrochloride
CID 173207893

Frequently Asked Questions

What is the IUPAC name of 10-nonylnonadecan-10-amine;hydroiodide?
The IUPAC name of 10-nonylnonadecan-10-amine;hydroiodide (CID 173404185) is 10-nonylnonadecan-10-amine;hydroiodide.
What is the SMILES notation for 10-nonylnonadecan-10-amine;hydroiodide?
The canonical SMILES for 10-nonylnonadecan-10-amine;hydroiodide is CCCCCCCCCC(N)(CCCCCCCCC)CCCCCCCCC.I.
What is the InChIKey of 10-nonylnonadecan-10-amine;hydroiodide?
The InChIKey is GCICZYIQCIDFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59N.HI/c1-4-7-10-13-16-19-22-25-28(29,26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3;/h4-27,29H2,1-3H3;1H.
What are the key properties of 10-nonylnonadecan-10-amine;hydroiodide?
10-nonylnonadecan-10-amine;hydroiodide has a molecular weight of 537.70 g/mol, XLogP of 10.72, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-nonylnonadecan-10-amine;hydroiodide is sourced from PubChem (CID 173404185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).