hexacosan-1-amine

C26H55N — CID 14550481

IUPAChexacosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C26H55N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h2-27H2,1H3
InChIKeyFUJXKFCTVKZXTJ-UHFFFAOYSA-N
MW381.73 g/mol
LogP9.33
Rot. Bonds24

About hexacosan-1-amine

hexacosan-1-amine (PubChem CID 14550481) has the molecular formula C26H55N and a molecular weight of 381.73 g/mol. Its IUPAC name is hexacosan-1-amine.

Molecular Properties

Compound Namehexacosan-1-amine
PubChem CID14550481
Molecular FormulaC26H55N
Molecular Weight381.73 g/mol
Exact Mass381.43
IUPAC Namehexacosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C26H55N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h2-27H2,1H3
InChIKeyFUJXKFCTVKZXTJ-UHFFFAOYSA-N
XLogP9.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.73
LogP ≤ 59.33
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

tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
dotetracontan-1-amine
CID 14550497
tetracosan-1-amine;hydrobromide
CID 175600580
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;titanium
CID 174493472
octadecan-1-amine;trihydrochloride
CID 175177898
copper;hexan-1-amine
CID 87269039
nonan-1-amine;dihydrate
CID 174770026
pentadecan-1-amine;hydrobromide
CID 173087623
octadecan-1-amine;hydrate
CID 158026408

Frequently Asked Questions

What is the IUPAC name of hexacosan-1-amine?
The IUPAC name of hexacosan-1-amine (CID 14550481) is hexacosan-1-amine.
What is the SMILES notation for hexacosan-1-amine?
The canonical SMILES for hexacosan-1-amine is CCCCCCCCCCCCCCCCCCCCCCCCCCN.
What is the InChIKey of hexacosan-1-amine?
The InChIKey is FUJXKFCTVKZXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h2-27H2,1H3.
What are the key properties of hexacosan-1-amine?
hexacosan-1-amine has a molecular weight of 381.73 g/mol, XLogP of 9.33, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexacosan-1-amine is sourced from PubChem (CID 14550481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).