6-(1-aminocyclohexyl)-N-butyl-4-hydroxy-2-propan-2-yl-5-(4-propan-2-ylcyclohexyl)hexanamide;hydrochloride

C28H55ClN2O2 — CID 67704016

IUPAC6-(1-aminocyclohexyl)-N-butyl-4-hydroxy-2-propan-2-yl-5-(4-propan-2-ylcyclohexyl)hexanamide;hydrochloride
SMILESCCCCNC(=O)C(CC(O)C(CC1(N)CCCCC1)C1CCC(C(C)C)CC1)C(C)C.Cl
InChIInChI=1S/C28H54N2O2.ClH/c1-6-7-17-30-27(32)24(21(4)5)18-26(31)25(19-28(29)15-9-8-10-16-28)23-13-11-22(12-14-23)20(2)3;/h20-26,31H,6-19,29H2,1-5H3,(H,30,32);1H
InChIKeyFBAOZIOOKYVVID-UHFFFAOYSA-N
MW487.21 g/mol
LogP6.48
Rot. Bonds12

About 6-(1-aminocyclohexyl)-N-butyl-4-hydroxy-2-propan-2-yl-5-(4-propan-2-ylcyclohexyl)hexanamide;hydrochloride

6-(1-aminocyclohexyl)-N-butyl-4-hydroxy-2-propan-2-yl-5-(4-propan-2-ylcyclohexyl)hexanamide;hydrochloride (PubChem CID 67704016) has the molecular formula C28H55ClN2O2 and a molecular weight of 487.21 g/mol. Its IUPAC name is 6-(1-aminocyclohexyl)-N-butyl-4-hydroxy-2-propan-2-yl-5-(4-propan-2-ylcyclohexyl)hexanamide;hydrochloride.

Molecular Properties

Compound Name6-(1-aminocyclohexyl)-N-butyl-4-hydroxy-2-propan-2-yl-5-(4-propan-2-ylcyclohexyl)hexanamide;hydrochloride
PubChem CID67704016
Molecular FormulaC28H55ClN2O2
Molecular Weight487.21 g/mol
Exact Mass486.40
IUPAC Name6-(1-aminocyclohexyl)-N-butyl-4-hydroxy-2-propan-2-yl-5-(4-propan-2-ylcyclohexyl)hexanamide;hydrochloride
SMILESCCCCNC(=O)C(CC(O)C(CC1(N)CCCCC1)C1CCC(C(C)C)CC1)C(C)C.Cl
InChIInChI=1S/C28H54N2O2.ClH/c1-6-7-17-30-27(32)24(21(4)5)18-26(31)25(19-28(29)15-9-8-10-16-28)23-13-11-22(12-14-23)20(2)3;/h20-26,31H,6-19,29H2,1-5H3,(H,30,32);1H
InChIKeyFBAOZIOOKYVVID-UHFFFAOYSA-N
XLogP6.48
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.21
LogP ≤ 56.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-aminocyclohexyl)-N-butyl-4-hydroxy-2-propan-2-yl-5-(4-propan-2-ylcyclohexyl)hexanamide;hydrochloride?
The IUPAC name of 6-(1-aminocyclohexyl)-N-butyl-4-hydroxy-2-propan-2-yl-5-(4-propan-2-ylcyclohexyl)hexanamide;hydrochloride (CID 67704016) is 6-(1-aminocyclohexyl)-N-butyl-4-hydroxy-2-propan-2-yl-5-(4-propan-2-ylcyclohexyl)hexanamide;hydrochloride.
What is the SMILES notation for 6-(1-aminocyclohexyl)-N-butyl-4-hydroxy-2-propan-2-yl-5-(4-propan-2-ylcyclohexyl)hexanamide;hydrochloride?
The canonical SMILES for 6-(1-aminocyclohexyl)-N-butyl-4-hydroxy-2-propan-2-yl-5-(4-propan-2-ylcyclohexyl)hexanamide;hydrochloride is CCCCNC(=O)C(CC(O)C(CC1(N)CCCCC1)C1CCC(C(C)C)CC1)C(C)C.Cl.
What is the InChIKey of 6-(1-aminocyclohexyl)-N-butyl-4-hydroxy-2-propan-2-yl-5-(4-propan-2-ylcyclohexyl)hexanamide;hydrochloride?
The InChIKey is FBAOZIOOKYVVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N2O2.ClH/c1-6-7-17-30-27(32)24(21(4)5)18-26(31)25(19-28(29)15-9-8-10-16-28)23-13-11-22(12-14-23)20(2)3;/h20-26,31H,6-19,29H2,1-5H3,(H,30,32);1H.
What are the key properties of 6-(1-aminocyclohexyl)-N-butyl-4-hydroxy-2-propan-2-yl-5-(4-propan-2-ylcyclohexyl)hexanamide;hydrochloride?
6-(1-aminocyclohexyl)-N-butyl-4-hydroxy-2-propan-2-yl-5-(4-propan-2-ylcyclohexyl)hexanamide;hydrochloride has a molecular weight of 487.21 g/mol, XLogP of 6.48, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminocyclohexyl)-N-butyl-4-hydroxy-2-propan-2-yl-5-(4-propan-2-ylcyclohexyl)hexanamide;hydrochloride is sourced from PubChem (CID 67704016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).