5-butylhexadecan-5-amine

C20H43N — CID 22244897

IUPAC5-butylhexadecan-5-amine
SMILESCCCCCCCCCCCC(N)(CCCC)CCCC
InChIInChI=1S/C20H43N/c1-4-7-10-11-12-13-14-15-16-19-20(21,17-8-5-2)18-9-6-3/h4-19,21H2,1-3H3
InChIKeyCJMRGLZGTLCTNG-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.99
Rot. Bonds16

About 5-butylhexadecan-5-amine

5-butylhexadecan-5-amine (PubChem CID 22244897) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is 5-butylhexadecan-5-amine.

Molecular Properties

Compound Name5-butylhexadecan-5-amine
PubChem CID22244897
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC Name5-butylhexadecan-5-amine
SMILESCCCCCCCCCCCC(N)(CCCC)CCCC
InChIInChI=1S/C20H43N/c1-4-7-10-11-12-13-14-15-16-19-20(21,17-8-5-2)18-9-6-3/h4-19,21H2,1-3H3
InChIKeyCJMRGLZGTLCTNG-UHFFFAOYSA-N
XLogP6.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.99
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

11-decylhenicosan-11-amine
CID 19847882
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
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 5-butylhexadecan-5-amine?
The IUPAC name of 5-butylhexadecan-5-amine (CID 22244897) is 5-butylhexadecan-5-amine.
What is the SMILES notation for 5-butylhexadecan-5-amine?
The canonical SMILES for 5-butylhexadecan-5-amine is CCCCCCCCCCCC(N)(CCCC)CCCC.
What is the InChIKey of 5-butylhexadecan-5-amine?
The InChIKey is CJMRGLZGTLCTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-4-7-10-11-12-13-14-15-16-19-20(21,17-8-5-2)18-9-6-3/h4-19,21H2,1-3H3.
What are the key properties of 5-butylhexadecan-5-amine?
5-butylhexadecan-5-amine has a molecular weight of 297.57 g/mol, XLogP of 6.99, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylhexadecan-5-amine is sourced from PubChem (CID 22244897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).