pentacosane-1,13,25-triamine

C25H55N3 — CID 174653759

IUPACpentacosane-1,13,25-triamine
SMILESNCCCCCCCCCCCCC(N)CCCCCCCCCCCCN
InChIInChI=1S/C25H55N3/c26-23-19-15-11-7-3-1-5-9-13-17-21-25(28)22-18-14-10-6-2-4-8-12-16-20-24-27/h25H,1-24,26-28H2
InChIKeyWQAGIQGYKNNMCT-UHFFFAOYSA-N
MW397.74 g/mol
LogP6.81
Rot. Bonds24

About pentacosane-1,13,25-triamine

pentacosane-1,13,25-triamine (PubChem CID 174653759) has the molecular formula C25H55N3 and a molecular weight of 397.74 g/mol. Its IUPAC name is pentacosane-1,13,25-triamine.

Molecular Properties

Compound Namepentacosane-1,13,25-triamine
PubChem CID174653759
Molecular FormulaC25H55N3
Molecular Weight397.74 g/mol
Exact Mass397.44
IUPAC Namepentacosane-1,13,25-triamine
SMILESNCCCCCCCCCCCCC(N)CCCCCCCCCCCCN
InChIInChI=1S/C25H55N3/c26-23-19-15-11-7-3-1-5-9-13-17-21-25(28)22-18-14-10-6-2-4-8-12-16-20-24-27/h25H,1-24,26-28H2
InChIKeyWQAGIQGYKNNMCT-UHFFFAOYSA-N
XLogP6.81
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.74
LogP ≤ 56.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octane-1,4,8-triamine
CID 18544198
octane-1,1,4,8-tetramine
CID 139682493
nonadecane-1,13-diamine
CID 102135569
undecane-1,6-diamine
CID 18419788
octadecane-1,5-diamine
CID 154229011
heptane-1,4,7-triamine;tetrahydrochloride
CID 172714614
tridecane-1,4,7,10,13-pentamine
CID 86224803
octadecane-1,6,7,18-tetramine
CID 56630973
(6R,7S)-dodecane-1,6,7,12-tetramine
CID 124604183
2-methyldecane-1,1,10-triamine
CID 175230718
lithium (2S)-2,6-diaminohexan-1-olate
CID 139649713
4,9-diaminononanoic acid
CID 88791042

Frequently Asked Questions

What is the IUPAC name of pentacosane-1,13,25-triamine?
The IUPAC name of pentacosane-1,13,25-triamine (CID 174653759) is pentacosane-1,13,25-triamine.
What is the SMILES notation for pentacosane-1,13,25-triamine?
The canonical SMILES for pentacosane-1,13,25-triamine is NCCCCCCCCCCCCC(N)CCCCCCCCCCCCN.
What is the InChIKey of pentacosane-1,13,25-triamine?
The InChIKey is WQAGIQGYKNNMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H55N3/c26-23-19-15-11-7-3-1-5-9-13-17-21-25(28)22-18-14-10-6-2-4-8-12-16-20-24-27/h25H,1-24,26-28H2.
What are the key properties of pentacosane-1,13,25-triamine?
pentacosane-1,13,25-triamine has a molecular weight of 397.74 g/mol, XLogP of 6.81, 24 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentacosane-1,13,25-triamine is sourced from PubChem (CID 174653759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).