1-N,1-N',3-N,3-N'-tetracyclohexylbutane-1,1,3,3-tetramine

C28H54N4 — CID 57137512

IUPAC1-N,1-N',3-N,3-N'-tetracyclohexylbutane-1,1,3,3-tetramine
SMILESCC(CC(NC1CCCCC1)NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C28H54N4/c1-28(31-25-18-10-4-11-19-25,32-26-20-12-5-13-21-26)22-27(29-23-14-6-2-7-15-23)30-24-16-8-3-9-17-24/h23-27,29-32H,2-22H2,1H3
InChIKeyRUFIGFREACAALI-UHFFFAOYSA-N
MW446.77 g/mol
LogP6.11
Rot. Bonds10

About 1-N,1-N',3-N,3-N'-tetracyclohexylbutane-1,1,3,3-tetramine

1-N,1-N',3-N,3-N'-tetracyclohexylbutane-1,1,3,3-tetramine (PubChem CID 57137512) has the molecular formula C28H54N4 and a molecular weight of 446.77 g/mol. Its IUPAC name is 1-N,1-N',3-N,3-N'-tetracyclohexylbutane-1,1,3,3-tetramine.

Molecular Properties

Compound Name1-N,1-N',3-N,3-N'-tetracyclohexylbutane-1,1,3,3-tetramine
PubChem CID57137512
Molecular FormulaC28H54N4
Molecular Weight446.77 g/mol
Exact Mass446.43
IUPAC Name1-N,1-N',3-N,3-N'-tetracyclohexylbutane-1,1,3,3-tetramine
SMILESCC(CC(NC1CCCCC1)NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C28H54N4/c1-28(31-25-18-10-4-11-19-25,32-26-20-12-5-13-21-26)22-27(29-23-14-6-2-7-15-23)30-24-16-8-3-9-17-24/h23-27,29-32H,2-22H2,1H3
InChIKeyRUFIGFREACAALI-UHFFFAOYSA-N
XLogP6.11
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.77
LogP ≤ 56.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[Bis(cyclohexylamino)methylideneamino]propyl]-1,3-dicyclohexylguanidine
CID 20762626
N-cyclohexylcyclohexanamine;N-cyclohexyl-N-ethylcyclohexanamine
CID 22599374
N,N',N'-tricyclohexylmethanediamine
CID 57164561
N,N',N",N"-tetracyclohexylmethanetriamine
CID 59622610
N'-[[3-aminopropyl(cyclohexyl)amino]methyl]-N'-cyclohexylpropane-1,3-diamine
CID 67362695
N'-[3-[[3-aminopropyl(cyclohexyl)amino]methyl-cyclohexylamino]propyl]propane-1,3-diamine
CID 67363558
N'-cyclohexyl-N'-[(cyclohexylamino)methyl]propane-1,3-diamine
CID 67403290
1-N-cyclohexyl-1-N'-[1-(cyclohexylamino)ethyl]-1-N'-[2-(cyclohexylamino)ethyl]ethane-1,1-diamine
CID 67932845
CID 69651622
CID 69651622
cyclohexanamine;cyclohexane;N-cyclohexylcyclohexanamine
CID 70257728
1-N,1-N',1-N'-tricyclohexylcyclohexane-1,1-diamine
CID 70257729
1-N,1-N'-dicyclohexylcyclohexane-1,1-diamine
CID 87149547

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N',3-N,3-N'-tetracyclohexylbutane-1,1,3,3-tetramine?
The IUPAC name of 1-N,1-N',3-N,3-N'-tetracyclohexylbutane-1,1,3,3-tetramine (CID 57137512) is 1-N,1-N',3-N,3-N'-tetracyclohexylbutane-1,1,3,3-tetramine.
What is the SMILES notation for 1-N,1-N',3-N,3-N'-tetracyclohexylbutane-1,1,3,3-tetramine?
The canonical SMILES for 1-N,1-N',3-N,3-N'-tetracyclohexylbutane-1,1,3,3-tetramine is CC(CC(NC1CCCCC1)NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1-N,1-N',3-N,3-N'-tetracyclohexylbutane-1,1,3,3-tetramine?
The InChIKey is RUFIGFREACAALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N4/c1-28(31-25-18-10-4-11-19-25,32-26-20-12-5-13-21-26)22-27(29-23-14-6-2-7-15-23)30-24-16-8-3-9-17-24/h23-27,29-32H,2-22H2,1H3.
What are the key properties of 1-N,1-N',3-N,3-N'-tetracyclohexylbutane-1,1,3,3-tetramine?
1-N,1-N',3-N,3-N'-tetracyclohexylbutane-1,1,3,3-tetramine has a molecular weight of 446.77 g/mol, XLogP of 6.11, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N',3-N,3-N'-tetracyclohexylbutane-1,1,3,3-tetramine is sourced from PubChem (CID 57137512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).