(6-azaniumyl-4-methylheptan-2-yl)azanium;4-azaniumylpentan-2-ylazanium;4-(4-azaniumylpentan-2-ylcarbamoylamino)pentan-2-ylazanium

C24H66N8O+6 — CID 91306148

IUPAC(6-azaniumyl-4-methylheptan-2-yl)azanium;4-azaniumylpentan-2-ylazanium;4-(4-azaniumylpentan-2-ylcarbamoylamino)pentan-2-ylazanium
SMILESCC([NH3+])CC(C)CC(C)[NH3+].CC([NH3+])CC(C)NC(=O)NC(C)CC(C)[NH3+].CC([NH3+])CC(C)[NH3+]
InChIInChI=1S/C11H26N4O.C8H20N2.C5H14N2/c1-7(12)5-9(3)14-11(16)15-10(4)6-8(2)13;1-6(4-7(2)9)5-8(3)10;1-4(6)3-5(2)7/h7-10H,5-6,12-13H2,1-4H3,(H2,14,15,16);6-8H,4-5,9-10H2,1-3H3;4-5H,3,6-7H2,1-2H3/p+6
InChIKeyJJWGOVGEFXHIQL-UHFFFAOYSA-T
MW482.85 g/mol
LogP-2.60
Rot. Bonds12

About (6-azaniumyl-4-methylheptan-2-yl)azanium;4-azaniumylpentan-2-ylazanium;4-(4-azaniumylpentan-2-ylcarbamoylamino)pentan-2-ylazanium

(6-azaniumyl-4-methylheptan-2-yl)azanium;4-azaniumylpentan-2-ylazanium;4-(4-azaniumylpentan-2-ylcarbamoylamino)pentan-2-ylazanium (PubChem CID 91306148) has the molecular formula C24H66N8O+6 and a molecular weight of 482.85 g/mol. Its IUPAC name is (6-azaniumyl-4-methylheptan-2-yl)azanium;4-azaniumylpentan-2-ylazanium;4-(4-azaniumylpentan-2-ylcarbamoylamino)pentan-2-ylazanium.

Molecular Properties

Compound Name(6-azaniumyl-4-methylheptan-2-yl)azanium;4-azaniumylpentan-2-ylazanium;4-(4-azaniumylpentan-2-ylcarbamoylamino)pentan-2-ylazanium
PubChem CID91306148
Molecular FormulaC24H66N8O+6
Molecular Weight482.85 g/mol
Exact Mass482.53
IUPAC Name(6-azaniumyl-4-methylheptan-2-yl)azanium;4-azaniumylpentan-2-ylazanium;4-(4-azaniumylpentan-2-ylcarbamoylamino)pentan-2-ylazanium
SMILESCC([NH3+])CC(C)CC(C)[NH3+].CC([NH3+])CC(C)NC(=O)NC(C)CC(C)[NH3+].CC([NH3+])CC(C)[NH3+]
InChIInChI=1S/C11H26N4O.C8H20N2.C5H14N2/c1-7(12)5-9(3)14-11(16)15-10(4)6-8(2)13;1-6(4-7(2)9)5-8(3)10;1-4(6)3-5(2)7/h7-10H,5-6,12-13H2,1-4H3,(H2,14,15,16);6-8H,4-5,9-10H2,1-3H3;4-5H,3,6-7H2,1-2H3/p+6
InChIKeyJJWGOVGEFXHIQL-UHFFFAOYSA-T
XLogP-2.60
TPSA206.97 Ų
H-Bond Donors8
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.85
LogP ≤ 5-2.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 101

Analyze (6-azaniumyl-4-methylheptan-2-yl)azanium;4-azaniumylpentan-2-ylazanium;4-(4-azaniumylpentan-2-ylcarbamoylamino)pentan-2-ylazanium with MolForge

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Related Compounds

1,3-bis(4-aminopentan-2-yl)urea
CID 20820352
(2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
CID 78972526
3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 61198782
5-(4-methylhexan-2-ylcarbamoylamino)hexanoic acid
CID 82848355
1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea
CID 111435312
1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea
CID 79023677
2-(4-methylpentan-2-ylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 61198592
1-tert-butyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115693458
2-chloro-N-(4-methylpentan-2-ylcarbamoyl)acetamide
CID 43372510
N-(butan-2-ylcarbamoyl)formamide
CID 143601930
2-(methylamino)-N-(4-methylpentan-2-yl)propanamide
CID 62638556
(2S)-2-hydroxy-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid
CID 107840287

Frequently Asked Questions

What is the IUPAC name of (6-azaniumyl-4-methylheptan-2-yl)azanium;4-azaniumylpentan-2-ylazanium;4-(4-azaniumylpentan-2-ylcarbamoylamino)pentan-2-ylazanium?
The IUPAC name of (6-azaniumyl-4-methylheptan-2-yl)azanium;4-azaniumylpentan-2-ylazanium;4-(4-azaniumylpentan-2-ylcarbamoylamino)pentan-2-ylazanium (CID 91306148) is (6-azaniumyl-4-methylheptan-2-yl)azanium;4-azaniumylpentan-2-ylazanium;4-(4-azaniumylpentan-2-ylcarbamoylamino)pentan-2-ylazanium.
What is the SMILES notation for (6-azaniumyl-4-methylheptan-2-yl)azanium;4-azaniumylpentan-2-ylazanium;4-(4-azaniumylpentan-2-ylcarbamoylamino)pentan-2-ylazanium?
The canonical SMILES for (6-azaniumyl-4-methylheptan-2-yl)azanium;4-azaniumylpentan-2-ylazanium;4-(4-azaniumylpentan-2-ylcarbamoylamino)pentan-2-ylazanium is CC([NH3+])CC(C)CC(C)[NH3+].CC([NH3+])CC(C)NC(=O)NC(C)CC(C)[NH3+].CC([NH3+])CC(C)[NH3+].
What is the InChIKey of (6-azaniumyl-4-methylheptan-2-yl)azanium;4-azaniumylpentan-2-ylazanium;4-(4-azaniumylpentan-2-ylcarbamoylamino)pentan-2-ylazanium?
The InChIKey is JJWGOVGEFXHIQL-UHFFFAOYSA-T. The full InChI is InChI=1S/C11H26N4O.C8H20N2.C5H14N2/c1-7(12)5-9(3)14-11(16)15-10(4)6-8(2)13;1-6(4-7(2)9)5-8(3)10;1-4(6)3-5(2)7/h7-10H,5-6,12-13H2,1-4H3,(H2,14,15,16);6-8H,4-5,9-10H2,1-3H3;4-5H,3,6-7H2,1-2H3/p+6.
What are the key properties of (6-azaniumyl-4-methylheptan-2-yl)azanium;4-azaniumylpentan-2-ylazanium;4-(4-azaniumylpentan-2-ylcarbamoylamino)pentan-2-ylazanium?
(6-azaniumyl-4-methylheptan-2-yl)azanium;4-azaniumylpentan-2-ylazanium;4-(4-azaniumylpentan-2-ylcarbamoylamino)pentan-2-ylazanium has a molecular weight of 482.85 g/mol, XLogP of -2.60, 12 rotatable bonds, 8 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-azaniumyl-4-methylheptan-2-yl)azanium;4-azaniumylpentan-2-ylazanium;4-(4-azaniumylpentan-2-ylcarbamoylamino)pentan-2-ylazanium is sourced from PubChem (CID 91306148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).