11-decylhenicosan-11-amine

C31H65N — CID 19847882

IUPAC11-decylhenicosan-11-amine
SMILESCCCCCCCCCCC(N)(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C31H65N/c1-4-7-10-13-16-19-22-25-28-31(32,29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h4-30,32H2,1-3H3
InChIKeyDDMHQWLMSLGOTJ-UHFFFAOYSA-N
MW451.87 g/mol
LogP11.28
Rot. Bonds27

About 11-decylhenicosan-11-amine

11-decylhenicosan-11-amine (PubChem CID 19847882) has the molecular formula C31H65N and a molecular weight of 451.87 g/mol. Its IUPAC name is 11-decylhenicosan-11-amine.

Molecular Properties

Compound Name11-decylhenicosan-11-amine
PubChem CID19847882
Molecular FormulaC31H65N
Molecular Weight451.87 g/mol
Exact Mass451.51
IUPAC Name11-decylhenicosan-11-amine
SMILESCCCCCCCCCCC(N)(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C31H65N/c1-4-7-10-13-16-19-22-25-28-31(32,29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h4-30,32H2,1-3H3
InChIKeyDDMHQWLMSLGOTJ-UHFFFAOYSA-N
XLogP11.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.87
LogP ≤ 511.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
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 11-decylhenicosan-11-amine?
The IUPAC name of 11-decylhenicosan-11-amine (CID 19847882) is 11-decylhenicosan-11-amine.
What is the SMILES notation for 11-decylhenicosan-11-amine?
The canonical SMILES for 11-decylhenicosan-11-amine is CCCCCCCCCCC(N)(CCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 11-decylhenicosan-11-amine?
The InChIKey is DDMHQWLMSLGOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H65N/c1-4-7-10-13-16-19-22-25-28-31(32,29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h4-30,32H2,1-3H3.
What are the key properties of 11-decylhenicosan-11-amine?
11-decylhenicosan-11-amine has a molecular weight of 451.87 g/mol, XLogP of 11.28, 27 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-decylhenicosan-11-amine is sourced from PubChem (CID 19847882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).