15-tetradecylnonacosan-15-amine;hydrochloride

C43H90ClN — CID 173325035

IUPAC15-tetradecylnonacosan-15-amine;hydrochloride
SMILESCCCCCCCCCCCCCCC(N)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.Cl
InChIInChI=1S/C43H89N.ClH/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43(44,41-38-35-32-29-26-23-20-17-14-11-8-5-2)42-39-36-33-30-27-24-21-18-15-12-9-6-3;/h4-42,44H2,1-3H3;1H
InChIKeyMFEGFMQNHOCEPO-UHFFFAOYSA-N
MW656.65 g/mol
LogP16.38
Rot. Bonds39

About 15-tetradecylnonacosan-15-amine;hydrochloride

15-tetradecylnonacosan-15-amine;hydrochloride (PubChem CID 173325035) has the molecular formula C43H90ClN and a molecular weight of 656.65 g/mol. Its IUPAC name is 15-tetradecylnonacosan-15-amine;hydrochloride.

Molecular Properties

Compound Name15-tetradecylnonacosan-15-amine;hydrochloride
PubChem CID173325035
Molecular FormulaC43H90ClN
Molecular Weight656.65 g/mol
Exact Mass655.68
IUPAC Name15-tetradecylnonacosan-15-amine;hydrochloride
SMILESCCCCCCCCCCCCCCC(N)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.Cl
InChIInChI=1S/C43H89N.ClH/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43(44,41-38-35-32-29-26-23-20-17-14-11-8-5-2)42-39-36-33-30-27-24-21-18-15-12-9-6-3;/h4-42,44H2,1-3H3;1H
InChIKeyMFEGFMQNHOCEPO-UHFFFAOYSA-N
XLogP16.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds39
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.65
LogP ≤ 516.38
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

7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860
11-decylhenicosan-11-amine
CID 19847882
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
12-undecyltricosan-12-amine;hydrate
CID 173445536
5-butylhexadecan-5-amine
CID 22244897
4-propylpentadecan-4-amine
CID 22244918
4-propylundecan-4-amine
CID 166728969
4-pentadecylheptane-1,4,7-triamine
CID 156536321
3-ethyltetracosan-3-amine;hydrochloride
CID 173207893
3-amino-3-hexadecylpentane-1,5-diol;hydrochloride
CID 173408839

Frequently Asked Questions

What is the IUPAC name of 15-tetradecylnonacosan-15-amine;hydrochloride?
The IUPAC name of 15-tetradecylnonacosan-15-amine;hydrochloride (CID 173325035) is 15-tetradecylnonacosan-15-amine;hydrochloride.
What is the SMILES notation for 15-tetradecylnonacosan-15-amine;hydrochloride?
The canonical SMILES for 15-tetradecylnonacosan-15-amine;hydrochloride is CCCCCCCCCCCCCCC(N)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.Cl.
What is the InChIKey of 15-tetradecylnonacosan-15-amine;hydrochloride?
The InChIKey is MFEGFMQNHOCEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H89N.ClH/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43(44,41-38-35-32-29-26-23-20-17-14-11-8-5-2)42-39-36-33-30-27-24-21-18-15-12-9-6-3;/h4-42,44H2,1-3H3;1H.
What are the key properties of 15-tetradecylnonacosan-15-amine;hydrochloride?
15-tetradecylnonacosan-15-amine;hydrochloride has a molecular weight of 656.65 g/mol, XLogP of 16.38, 39 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-tetradecylnonacosan-15-amine;hydrochloride is sourced from PubChem (CID 173325035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).