tetracosane-4,4-diamine

C24H52N2 — CID 141059661

IUPACtetracosane-4,4-diamine
SMILESCCCCCCCCCCCCCCCCCCCCC(N)(N)CCC
InChIInChI=1S/C24H52N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(25,26)22-4-2/h3-23,25-26H2,1-2H3
InChIKeyXYTOQHNSLDAHBG-UHFFFAOYSA-N
MW368.69 g/mol
LogP7.83
Rot. Bonds21

About tetracosane-4,4-diamine

tetracosane-4,4-diamine (PubChem CID 141059661) has the molecular formula C24H52N2 and a molecular weight of 368.69 g/mol. Its IUPAC name is tetracosane-4,4-diamine.

Molecular Properties

Compound Nametetracosane-4,4-diamine
PubChem CID141059661
Molecular FormulaC24H52N2
Molecular Weight368.69 g/mol
Exact Mass368.41
IUPAC Nametetracosane-4,4-diamine
SMILESCCCCCCCCCCCCCCCCCCCCC(N)(N)CCC
InChIInChI=1S/C24H52N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(25,26)22-4-2/h3-23,25-26H2,1-2H3
InChIKeyXYTOQHNSLDAHBG-UHFFFAOYSA-N
XLogP7.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.69
LogP ≤ 57.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tetracosane-6,6-diamine
CID 154005419
heptadecane-1,3,3-triamine
CID 88794313
4-propylpentadecan-4-amine
CID 22244918
4-propylundecan-4-amine
CID 166728969
11-decylhenicosan-11-amine
CID 19847882
nonane-1,1,1-triamine
CID 18954154
4,4-diaminododecanoic acid
CID 175505088
12-undecyltricosan-12-amine;hydrate
CID 173445536
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
5-butylhexadecan-5-amine
CID 22244897

Frequently Asked Questions

What is the IUPAC name of tetracosane-4,4-diamine?
The IUPAC name of tetracosane-4,4-diamine (CID 141059661) is tetracosane-4,4-diamine.
What is the SMILES notation for tetracosane-4,4-diamine?
The canonical SMILES for tetracosane-4,4-diamine is CCCCCCCCCCCCCCCCCCCCC(N)(N)CCC.
What is the InChIKey of tetracosane-4,4-diamine?
The InChIKey is XYTOQHNSLDAHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(25,26)22-4-2/h3-23,25-26H2,1-2H3.
What are the key properties of tetracosane-4,4-diamine?
tetracosane-4,4-diamine has a molecular weight of 368.69 g/mol, XLogP of 7.83, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracosane-4,4-diamine is sourced from PubChem (CID 141059661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).