[4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium

C26H50N3+ — CID 163544073

IUPAC[4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium
SMILESNC1CCC(CC2CCC(NC3CCC(CC4CCC([NH3+])CC4)CC3)CC2)CC1
InChIInChI=1S/C26H49N3/c27-23-9-1-19(2-10-23)17-21-5-13-25(14-6-21)29-26-15-7-22(8-16-26)18-20-3-11-24(28)12-4-20/h19-26,29H,1-18,27-28H2/p+1
InChIKeyFDMZOCLEIWRBIQ-UHFFFAOYSA-O
MW404.71 g/mol
LogP4.79
Rot. Bonds6

About [4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium

[4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium (PubChem CID 163544073) has the molecular formula C26H50N3+ and a molecular weight of 404.71 g/mol. Its IUPAC name is [4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium.

Molecular Properties

Compound Name[4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium
PubChem CID163544073
Molecular FormulaC26H50N3+
Molecular Weight404.71 g/mol
Exact Mass404.40
IUPAC Name[4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium
SMILESNC1CCC(CC2CCC(NC3CCC(CC4CCC([NH3+])CC4)CC3)CC2)CC1
InChIInChI=1S/C26H49N3/c27-23-9-1-19(2-10-23)17-21-5-13-25(14-6-21)29-26-15-7-22(8-16-26)18-20-3-11-24(28)12-4-20/h19-26,29H,1-18,27-28H2/p+1
InChIKeyFDMZOCLEIWRBIQ-UHFFFAOYSA-O
XLogP4.79
TPSA65.69 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.71
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium with MolForge

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Related Compounds

[4-[(4-aminocyclohexyl)methyl]cyclohexyl]azanium
CID 146710523
(4-aminocyclohexyl)azanium chloride
CID 139194803
4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine
CID 158561416
4-(cyclopropylmethyl)cyclohexan-1-amine
CID 126845684
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride
CID 70522175
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane
CID 159510225
1-N-(4-aminocyclohexyl)-2-[(4-aminocyclohexyl)methyl]cyclohexane-1,4-diamine
CID 20501199
4-(cyclopentylmethyl)cyclohexan-1-amine
CID 3523250
4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride
CID 86277360
4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
CID 54348885
(5-aminocyclooctyl)azanium
CID 153193766
cyclopropylazanium dichloride
CID 173255049

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium?
The IUPAC name of [4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium (CID 163544073) is [4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium.
What is the SMILES notation for [4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium?
The canonical SMILES for [4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium is NC1CCC(CC2CCC(NC3CCC(CC4CCC([NH3+])CC4)CC3)CC2)CC1.
What is the InChIKey of [4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium?
The InChIKey is FDMZOCLEIWRBIQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H49N3/c27-23-9-1-19(2-10-23)17-21-5-13-25(14-6-21)29-26-15-7-22(8-16-26)18-20-3-11-24(28)12-4-20/h19-26,29H,1-18,27-28H2/p+1.
What are the key properties of [4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium?
[4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium has a molecular weight of 404.71 g/mol, XLogP of 4.79, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium is sourced from PubChem (CID 163544073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).