3,5-diamino-N-[4-[4-[(3,5-diaminocyclohexanecarbonyl)amino]cyclohexyl]oxycyclohexyl]cyclohexane-1-carboxamide

C26H48N6O3 — CID 140513617

IUPAC3,5-diamino-N-[4-[4-[(3,5-diaminocyclohexanecarbonyl)amino]cyclohexyl]oxycyclohexyl]cyclohexane-1-carboxamide
SMILESNC1CC(N)CC(C(=O)NC2CCC(OC3CCC(NC(=O)C4CC(N)CC(N)C4)CC3)CC2)C1
InChIInChI=1S/C26H48N6O3/c27-17-9-15(10-18(28)13-17)25(33)31-21-1-5-23(6-2-21)35-24-7-3-22(4-8-24)32-26(34)16-11-19(29)14-20(30)12-16/h15-24H,1-14,27-30H2,(H,31,33)(H,32,34)
InChIKeyHRYWWXYOMNNXCH-UHFFFAOYSA-N
MW492.71 g/mol
LogP0.77
Rot. Bonds6

About 3,5-diamino-N-[4-[4-[(3,5-diaminocyclohexanecarbonyl)amino]cyclohexyl]oxycyclohexyl]cyclohexane-1-carboxamide

3,5-diamino-N-[4-[4-[(3,5-diaminocyclohexanecarbonyl)amino]cyclohexyl]oxycyclohexyl]cyclohexane-1-carboxamide (PubChem CID 140513617) has the molecular formula C26H48N6O3 and a molecular weight of 492.71 g/mol. Its IUPAC name is 3,5-diamino-N-[4-[4-[(3,5-diaminocyclohexanecarbonyl)amino]cyclohexyl]oxycyclohexyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-[4-[4-[(3,5-diaminocyclohexanecarbonyl)amino]cyclohexyl]oxycyclohexyl]cyclohexane-1-carboxamide
PubChem CID140513617
Molecular FormulaC26H48N6O3
Molecular Weight492.71 g/mol
Exact Mass492.38
IUPAC Name3,5-diamino-N-[4-[4-[(3,5-diaminocyclohexanecarbonyl)amino]cyclohexyl]oxycyclohexyl]cyclohexane-1-carboxamide
SMILESNC1CC(N)CC(C(=O)NC2CCC(OC3CCC(NC(=O)C4CC(N)CC(N)C4)CC3)CC2)C1
InChIInChI=1S/C26H48N6O3/c27-17-9-15(10-18(28)13-17)25(33)31-21-1-5-23(6-2-21)35-24-7-3-22(4-8-24)32-26(34)16-11-19(29)14-20(30)12-16/h15-24H,1-14,27-30H2,(H,31,33)(H,32,34)
InChIKeyHRYWWXYOMNNXCH-UHFFFAOYSA-N
XLogP0.77
TPSA171.51 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.71
LogP ≤ 50.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 3,5-diamino-N-[4-[4-[(3,5-diaminocyclohexanecarbonyl)amino]cyclohexyl]oxycyclohexyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
4-[(3-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxamide
CID 66032881
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
9-amino-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983734
N-(3-aminocyclobutyl)cyclooctanecarboxamide
CID 65023112
3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide
CID 63043224
methyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate
CID 169045886
ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
CID 60945042
3-amino-N-(4-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119812000
N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride
CID 119478130
(3-aminocyclobutyl) N-cyclopropylcarbamate;hydrochloride
CID 175102424
1-(3-aminocyclobutyl)-3-cyclopropylurea
CID 62700809

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[4-[4-[(3,5-diaminocyclohexanecarbonyl)amino]cyclohexyl]oxycyclohexyl]cyclohexane-1-carboxamide?
The IUPAC name of 3,5-diamino-N-[4-[4-[(3,5-diaminocyclohexanecarbonyl)amino]cyclohexyl]oxycyclohexyl]cyclohexane-1-carboxamide (CID 140513617) is 3,5-diamino-N-[4-[4-[(3,5-diaminocyclohexanecarbonyl)amino]cyclohexyl]oxycyclohexyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3,5-diamino-N-[4-[4-[(3,5-diaminocyclohexanecarbonyl)amino]cyclohexyl]oxycyclohexyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3,5-diamino-N-[4-[4-[(3,5-diaminocyclohexanecarbonyl)amino]cyclohexyl]oxycyclohexyl]cyclohexane-1-carboxamide is NC1CC(N)CC(C(=O)NC2CCC(OC3CCC(NC(=O)C4CC(N)CC(N)C4)CC3)CC2)C1.
What is the InChIKey of 3,5-diamino-N-[4-[4-[(3,5-diaminocyclohexanecarbonyl)amino]cyclohexyl]oxycyclohexyl]cyclohexane-1-carboxamide?
The InChIKey is HRYWWXYOMNNXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N6O3/c27-17-9-15(10-18(28)13-17)25(33)31-21-1-5-23(6-2-21)35-24-7-3-22(4-8-24)32-26(34)16-11-19(29)14-20(30)12-16/h15-24H,1-14,27-30H2,(H,31,33)(H,32,34).
What are the key properties of 3,5-diamino-N-[4-[4-[(3,5-diaminocyclohexanecarbonyl)amino]cyclohexyl]oxycyclohexyl]cyclohexane-1-carboxamide?
3,5-diamino-N-[4-[4-[(3,5-diaminocyclohexanecarbonyl)amino]cyclohexyl]oxycyclohexyl]cyclohexane-1-carboxamide has a molecular weight of 492.71 g/mol, XLogP of 0.77, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[4-[4-[(3,5-diaminocyclohexanecarbonyl)amino]cyclohexyl]oxycyclohexyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 140513617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).