2-(2-adamantyl)-3H-isoindol-1-imine;hydrobromide

C18H23BrN2 — CID 118268278

IUPAC2-(2-adamantyl)-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1\c2ccccc2CN1C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H22N2.BrH/c19-18-16-4-2-1-3-13(16)10-20(18)17-14-6-11-5-12(8-14)9-15(17)7-11;/h1-4,11-12,14-15,17,19H,5-10H2;1H/b19-18+;
InChIKeyNMFAJBHSWVDSCK-LTRPLHCISA-N
MW347.30 g/mol
LogP4.23
Rot. Bonds1

About 2-(2-adamantyl)-3H-isoindol-1-imine;hydrobromide

2-(2-adamantyl)-3H-isoindol-1-imine;hydrobromide (PubChem CID 118268278) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-(2-adamantyl)-3H-isoindol-1-imine;hydrobromide.

Molecular Properties

Compound Name2-(2-adamantyl)-3H-isoindol-1-imine;hydrobromide
PubChem CID118268278
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name2-(2-adamantyl)-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1\c2ccccc2CN1C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H22N2.BrH/c19-18-16-4-2-1-3-13(16)10-20(18)17-14-6-11-5-12(8-14)9-15(17)7-11;/h1-4,11-12,14-15,17,19H,5-10H2;1H/b19-18+;
InChIKeyNMFAJBHSWVDSCK-LTRPLHCISA-N
XLogP4.23
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-3H-isoindol-1-imine;hydrobromide
CID 118268286
3-imino-1H-isoindol-2-amine
CID 13380975
2-(cyclopentylmethyl)-3H-isoindol-1-imine
CID 43371148
2-(2-ethylcyclohexyl)-3H-isoindol-1-imine
CID 63534603
2-butyl-3H-isoindol-1-imine;hydrobromide
CID 118268275
2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide
CID 44667451
2-(3-imino-1H-isoindol-2-yl)phenol
CID 4006101
6-fluoro-2-(2-phenylcyclopropyl)-3H-isoindol-1-imine
CID 63291614
2-(3-bromo-4-fluorophenyl)-3H-isoindol-1-imine
CID 104779801
2-octadecyl-3H-isoindol-1-imine
CID 118268270
2-(3-methoxypropyl)-3H-isoindol-1-imine
CID 2978825
(10aS)-2-(2-adamantyl)-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
CID 59799642

Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyl)-3H-isoindol-1-imine;hydrobromide?
The IUPAC name of 2-(2-adamantyl)-3H-isoindol-1-imine;hydrobromide (CID 118268278) is 2-(2-adamantyl)-3H-isoindol-1-imine;hydrobromide.
What is the SMILES notation for 2-(2-adamantyl)-3H-isoindol-1-imine;hydrobromide?
The canonical SMILES for 2-(2-adamantyl)-3H-isoindol-1-imine;hydrobromide is Br.[H]/N=C1\c2ccccc2CN1C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-adamantyl)-3H-isoindol-1-imine;hydrobromide?
The InChIKey is NMFAJBHSWVDSCK-LTRPLHCISA-N. The full InChI is InChI=1S/C18H22N2.BrH/c19-18-16-4-2-1-3-13(16)10-20(18)17-14-6-11-5-12(8-14)9-15(17)7-11;/h1-4,11-12,14-15,17,19H,5-10H2;1H/b19-18+;.
What are the key properties of 2-(2-adamantyl)-3H-isoindol-1-imine;hydrobromide?
2-(2-adamantyl)-3H-isoindol-1-imine;hydrobromide has a molecular weight of 347.30 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyl)-3H-isoindol-1-imine;hydrobromide is sourced from PubChem (CID 118268278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).