pentacosan-7-amine

C25H53N — CID 88938409

IUPACpentacosan-7-amine
SMILESCCCCCCCCCCCCCCCCCCC(N)CCCCCC
InChIInChI=1S/C25H53N/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-25(26)23-21-8-6-4-2/h25H,3-24,26H2,1-2H3
InChIKeyFIJKNDLIEVWBBO-UHFFFAOYSA-N
MW367.71 g/mol
LogP8.94
Rot. Bonds22

About pentacosan-7-amine

pentacosan-7-amine (PubChem CID 88938409) has the molecular formula C25H53N and a molecular weight of 367.71 g/mol. Its IUPAC name is pentacosan-7-amine.

Molecular Properties

Compound Namepentacosan-7-amine
PubChem CID88938409
Molecular FormulaC25H53N
Molecular Weight367.71 g/mol
Exact Mass367.42
IUPAC Namepentacosan-7-amine
SMILESCCCCCCCCCCCCCCCCCCC(N)CCCCCC
InChIInChI=1S/C25H53N/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-25(26)23-21-8-6-4-2/h25H,3-24,26H2,1-2H3
InChIKeyFIJKNDLIEVWBBO-UHFFFAOYSA-N
XLogP8.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.71
LogP ≤ 58.94
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

nonapentacontan-30-amine
CID 118952570
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
(4R)-tridecan-4-amine
CID 150614684
icosane-5,10,16-triamine
CID 88870264
decan-4-amine;hydrochloride
CID 87728109
nonan-4-amine;hydrochloride
CID 86176929
heptadecan-4-amine;hydrochloride
CID 173248342
undecane-1,6-diamine
CID 18419788
nonadecane-1,13-diamine
CID 102135569
octadecane-1,5-diamine
CID 154229011
(16R)-16-butyldocosan-7-amine
CID 138605892

Frequently Asked Questions

What is the IUPAC name of pentacosan-7-amine?
The IUPAC name of pentacosan-7-amine (CID 88938409) is pentacosan-7-amine.
What is the SMILES notation for pentacosan-7-amine?
The canonical SMILES for pentacosan-7-amine is CCCCCCCCCCCCCCCCCCC(N)CCCCCC.
What is the InChIKey of pentacosan-7-amine?
The InChIKey is FIJKNDLIEVWBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-25(26)23-21-8-6-4-2/h25H,3-24,26H2,1-2H3.
What are the key properties of pentacosan-7-amine?
pentacosan-7-amine has a molecular weight of 367.71 g/mol, XLogP of 8.94, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentacosan-7-amine is sourced from PubChem (CID 88938409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).