1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine;N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine

C36H44N6O — CID 160858964

IUPAC1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine;N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine
SMILESNC(CC1c2ccccc2-c2cncn21)C1CCCCC1.ON=C(CC1c2ccccc2-c2cncn21)C1CCCCC1
InChIInChI=1S/C18H21N3O.C18H23N3/c22-20-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-19-12-21(17)18;19-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-20-12-21(17)18/h4-5,8-9,11-13,17,22H,1-3,6-7,10H2;4-5,8-9,11-13,16-17H,1-3,6-7,10,19H2
InChIKeySKFQTJPALHVMKM-UHFFFAOYSA-N
MW576.79 g/mol
LogP8.00
Rot. Bonds6

About 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine;N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine

1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine;N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine (PubChem CID 160858964) has the molecular formula C36H44N6O and a molecular weight of 576.79 g/mol. Its IUPAC name is 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine;N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine;N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine
PubChem CID160858964
Molecular FormulaC36H44N6O
Molecular Weight576.79 g/mol
Exact Mass576.36
IUPAC Name1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine;N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine
SMILESNC(CC1c2ccccc2-c2cncn21)C1CCCCC1.ON=C(CC1c2ccccc2-c2cncn21)C1CCCCC1
InChIInChI=1S/C18H21N3O.C18H23N3/c22-20-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-19-12-21(17)18;19-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-20-12-21(17)18/h4-5,8-9,11-13,17,22H,1-3,6-7,10H2;4-5,8-9,11-13,16-17H,1-3,6-7,10,19H2
InChIKeySKFQTJPALHVMKM-UHFFFAOYSA-N
XLogP8.00
TPSA94.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.79
LogP ≤ 58.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]nitrous amide
CID 118857872
1-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanamine
CID 118917049
(1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 141349404
N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-1-bicyclo[2.2.2]octanyl]cyclohexanecarboxamide
CID 145402359
(R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol
CID 129282494
1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 70874445
N-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide
CID 77141528
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol
CID 70874781
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone
CID 122628175
2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(oxan-4-yl)ethanone
CID 124647339
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] 2-phenylacetate
CID 157186673
5-cyclohexyl-5H-imidazo[5,1-a]isoindole
CID 137374390

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine;N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine?
The IUPAC name of 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine;N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine (CID 160858964) is 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine;N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine.
What is the SMILES notation for 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine;N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine?
The canonical SMILES for 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine;N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine is NC(CC1c2ccccc2-c2cncn21)C1CCCCC1.ON=C(CC1c2ccccc2-c2cncn21)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine;N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine?
The InChIKey is SKFQTJPALHVMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.C18H23N3/c22-20-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-19-12-21(17)18;19-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-20-12-21(17)18/h4-5,8-9,11-13,17,22H,1-3,6-7,10H2;4-5,8-9,11-13,16-17H,1-3,6-7,10,19H2.
What are the key properties of 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine;N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine?
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine;N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine has a molecular weight of 576.79 g/mol, XLogP of 8.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine;N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 160858964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).